2010-2012   FP7 Marie Curie fellow, National Institute of Chemistry, Ljubljana, Slovenia (host: Dr. Janez Mavri)

2005   Alexander von Humboldt Postdoctoral Fellow, Institute of Organic Chemistry, University of Heidelberg, Germany (host: Prof. Rolf Gleiter)

05.11.2003.   PhD in Natural Sciences, University of Zagreb, Croatia. Thesis title: "Interactions of Lewis acids and bases". Supervisor: Prof. Zvonimir Maksić

2001–2003   Postgraduate study of physical chemistry, Faculty of Science, University of Zagreb, Croatia

17.11.2000.   Dipl. Ing. in Chemistry, Faculty of Science, University of Zagreb, Croatia. Thesis title: "Proton Affinities of Some Guanidine Derivatives". Supervisor: Prof. Zvonimir Maksić

1996–2000   Chemistry study, Faculty of Science, University of Zagreb, Croatia

1992–1996   The Sušak High School, Rijeka, Croatia

1984–1992   Primary School, Rijeka, Croatia

2015-2019   "Design and Synthesis of Novel Nitrogen-Containing Heterocyclic Fluorophores and Fluorescent Nanomaterials for pH and Metal-Ion Sensing"; research grant from the Croatian Science Foundation

2013-2017   "Computational Studies of the Biogenic Amines of the Brain for Targeting Neurological Diseases"; individual FP7 Marie Curie Career Integration Grant (FP7-PEOPLE-2012-CIG call)

2011-2014   "Broensted and Lewis acids and bases in chemistry and biochemistry"; fundamental project from the Croatian Ministry of Science, Education and Sports

2010-2012   "Computational Studies of Proton Dynamics in Hydrogen Bonded Systems and Enzymes"; individual Marie Curie Fellowship for Career Development (FP7–PEOPLE–2009–IEF call) for 18 months stay at the National Institute of Chemistry in Ljubljana (Slovenia)

2008-2010   "Computational Prediction of Structure and Catalytic Activity of New Organic Superacids"; Research Grant from the Unity through Knowledge Fund under the Young Researchers and Professionals Program co-financed by the industrial partner APO Environmental Protection Services Ltd. Zagreb, Croatia

2009-2010   "Acid-base and tautomeric properties of biologically relevant molecules in solution"; Croatia-Slovenia bilateral project

2008-2009   "Amide bond and their implications in molecular biology"; Austria-Croatia bilateral project

2018   Branimir Jernej Foundation Annual Award for a publication in the fields of molecular biology, neurosciences and biomedicine published in 2017

2017   Croatian National Science Award in the field of natural sciences awarded by the Croatian Parliament and the Ministry of Science and Education of the Republic of Croatia 

2015   Annual Award from the director of the Ruđer Bošković Institute for a paper in a journal with high impact factor

2013   Presentation on the official web-site of the European Commission (http://www.croatia-in-the-eu.eu) celebrating Croatia's accession to the European Union

2012   "Marie Curie Success Story", presentation of the project among 23 individual Marie Curie fellowships in the publication "EU FP7 People Specific Programme Success Stories Booklet"

2012   Annual Award from the director of the Ruđer Bošković Institute for a paper in a journal with high impact factor

2010   "50,000th Marie Curie Fellowship Award", an honour given by the European Commission to 25 Marie Curie Fellows

2010   Annual Award from the director of the Ruđer Bošković Institute for securing a highly funded project

2010   "Promising Scientist Prize" of the Centre for the Applied Quantum Mechanics in Paris, France

2008   Annual Award of the Croatian Academy of Sciences and Arts for the development of the scientific and artistic work

2007   Leopold Ružička Award for young scientists of the Croatian Chemical Society

2006   Croatian National Science Award – Annual award for junior researchers awarded by the Croatian Parliament and the Ministry of Science, Education and Sports of the Republic of Croatia

2004   Annual Award by the Society of University Teachers and other Scientists in Zagreb for the work in chemistry 

2004   Alexander von Humboldt Postdoctoral Fellowship for a three months stay at the University of Heidelberg, Germany (host: Prof. Rolf Gleiter)

2004   City of Rijeka's Public Award – Annual award for the creative work and achievements in chemistry in 2002 and 2003

1995   Annual Award for the Achievements in Technical Culture and the Promotion of the City of Rijeka awarded by the Society of Technical Culture and the City of Rijeka

1993–2000   Scholar of the City of Rijeka

1. A. Beč, R. Vianello*, M. Hranjec*: "Synthesis and spectroscopic characterization of multifunctional D-π-A benzimidazole derivatives as potential pH sensors", Journal of Molecular Liquids 2023, 386, 122493.

2. L. Hok, R. Vianello*: "Selective deuteration improves the affinity of adenosine A_2A receptor ligands: A computational case study with istradefylline and caffeine", Journal of Chemical Information and Modeling 2023, 63, 3138–3149.

3. I. Boček, L. Hok, L. Persoons, D. Daelemans, R. Vianello*, M. Hranjec*: "Imidazo[4,5-b]pyridine derived tubulin polymerization inhibitors: Design, synthesis, biological activity in vitro and computational analysis", Bioorganic Chemistry 2022, 127, 106032.

4. M. Radović, L. Hok, M. Panić, M. Cvjetko Bubalo*, R. Vianello*, M. Vinković, I. Radojčić Redovniković: "Deep eutectic solvents as a stabilising medium for NAD coenzyme: Unravelling the mechanism behind coenzyme stabilisation effect", Green Chem. 2022, 24, 7661. 

5. E. Mehić, L. Hok, Q. Wang, I. Dokli, M. Svetec Miklenić, Z. Findrik Blažević, L. Tang, R. Vianello*, M. Majerić Elenkov*: "Expanding the scope of enantioselective halohydrin dehalogenases – Group B", Advanced Synthesis & Catalysis 2022, 364, 2576–2588, cover page article.

6. I. Boček, M. Hranjec*, R. Vianello*: "Imidazo[4,5-b]pyridine derived iminocoumarins as potential pH probes: Synthesis, spectroscopic and computational studies of their protonation equilibria", J. Mol. Liq. 2022, 355, 118982.

7. L. Hok, H. Rimac, J. Mavri, R. Vianello*: "COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes", Comput. Struct. Biotechnol. J. 2022, 20, 1254.

8. N. Perin, L. Hok, A. Beč, L. Persoons, E. Vanstreels, D. Daelemans, R. Vianello*, M. Hranjec*: "N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: synthesis, biological activity and computational analysis", Eur. J. Med. Chem. 2021, 211, 113003.

9. T. Tandarić, R. Vianello*: "Computational insight into the mechanism of the irreversible inhibition of monoamine oxidase enzymes by the anti-parkinsonian propargylamine inhibitors rasagiline and selegiline", ACS Chem. Neurosci. 2019, 10, 3532.

10. A. Maršavelski, R. Vianello*: "What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine", Chem.–Eur. J. 2017, 23, 2915.

11. T. Gregorić, M. Sedić*, P. Grbčić, A. Tomljenović Paravić, S. Kraljević Pavelić, M. Cetina, R. Vianello*, S. Raić-Malić*: "Novel pyrimidine-2,4-dione-1,2,3-triazole and furo[2,3-d]pyrimidine-2-one-1,2,3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation", Eur. J. Med. Chem. 2017, 125, 1247.

12. M. Pavlin, M. Repič, R. Vianello*, J. Mavri*: "The chemistry of neurodegeneration: kinetic data and their implications”, Molecular Neurobiology 2016, 53, 3400–3415.

13. I. Despotović, R. Vianello*: “Engineering exceptionally strong oxygen superbases with 1,8-diazanaphthalene di-N-oxides”, Chem. Commun. 2014, 50, 10941.

14. R. Vianello*, M. Repič, J. Mavri: "How are biogenic amines metabolized by monoamine oxidases?”, European Journal of Organic Chemistry 2012, 7057–7065, cover page article.

15. Z. B. Maksić, B. Kovačević*, R. Vianello*: "Advances in determining the absolute proton affinities of neutral organic molecules in the gas phase and their interpretation: a theoretical account”, Chem. Rev. 2012, 112, 5240.

Zbornik radova s konferencije

• The 5th Central European Conference - Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka et al. (ur.). Zagreb: Institut Ruđer Bošković, 2010

Zbornik sažetaka s konferencije

• Simpozij o katalizi u farmaceutskoj industriji : knjiga sažetaka / Majerić Elenkov, Maja ; Vianello, Robert ; Kirin, Srećko (ur.). Zagreb: Institut Ruđer Bošković, 2023

Izvorni znanstveni rad

• Horak, Ema ; Vianello, Robert ; Murković Steinberg, Ivana | Optical Sensing (Nano)Materials Based on Benzimidazole Derivatives // Chemistry and Applications of Benzimidazole and its Derivatives. | London : Delhi: IntechOpen, 2019. str. 184-205 . doi: 10.5772/intechopen.85643

  doiwww.intechopen.com

• Vianello, Robert ; Mavri, Janez | EVB simulation of the catalytic activity of monoamine oxidases: from chemical physics to neurodegeneration // Theory and applications of the empirical valence bond approach: from physical chemistry to chemical biology. | Chichester: John Wiley & Sons, 2017. str. 199-231 . doi: 10.1002/9781119245544.ch8

  doionlinelibrary.wiley.com

Izvorni znanstveni rad

• Boček Pavlinac, Ida; Persoons, Leentje; Beč, Anja; Vrban, Lucija; Daelemans, Dirk; Vianello, Robert; Hranjec, Marijana | Synthesis of novel imino-coumarin and acrylonitrile 2-benzazole hybrids as potent anticancer agents targeting tubulin // Bioorganic chemistry, 154 (2025), 107991, 16. doi: 10.1016/j.bioorg.2024.107991

  doiapi.elsevier.comapi.elsevier.comlinkinghub.elsevier.com

• Vrban, Lucija; Vianello, Robert | Prominent Neuroprotective Potential of Indole-2-N-methylpropargylamine: High Affinity and Irreversible Inhibition Efficiency towards Monoamine Oxidase B Revealed by Computational Scaffold Analysis // Pharmaceuticals, 17 (2024), 10; 1292, 20. doi: 10.3390/ph17101292

  doiwww.mdpi.comfulir.irb.hr

• Pavić, Kristina; Poje, Goran; Pessanha de Carvalho, Lais; Tandarić, Tana; Marinović, Marina; Fontinha, Diana; Held, Jana; Prudêncio, Miguel; Piantanida, Ivo; Vianello, Robert et al. | Discovery of harmiprims, harmine-primaquine hybrids, as potent and selective anticancer and antimalarial compounds // Bioorganic & medicinal chemistry, 105 (2024), 117734, 16. doi: 10.1016/j.bmc.2024.117734

  doi

• Matić, Josipa; Piotrowski, Patryciusz; Vrban, Lucija; Kobetić, Renata; Vianello, Robert; Jurić, Ivona; Fabijanić, Ivana; Pernar Kovač, Margareta; Brozovic, Anamaria; Piantanida, Ivo et al. | Distinctive Nucleic Acid Recognition by Lysine-Embedded Phenanthridine Peptides // International journal of molecular sciences, 25 (2024), 9; 4866, 28. doi: 10.3390/ijms25094866

  doifulir.irb.hr

• Beč, Anja; Persoons, Leentje; Daelemans, Dirk; Starčević, Kristina; Vianello, Robert; Hranjec, Marijana | Biological activity and computational analysis of novel acrylonitrile derived benzazoles as potent antiproliferative agents for pancreatic adenocarcinoma with antioxidative properties // Bioorganic chemistry, 147 (2024), 107326, 16. doi: 10.1016/j.bioorg.2024.107326

  doiwww.sciencedirect.comdx.doi.org

• Jakopec, Silvio; Pantalon Juraj, Natalija; Jadreško, Dijana; Vianello, Robert; Brozović, Anamaria; Tadić, Vanja; Milić, Lea; Perić, Berislav; Raić-Malić, Silvana; Kirin, Srećko I. | Late transition metal complexes of ferrocene-containing nitrogen ligands: Coordination chemistry, electron transfer properties, and tumor cell viability // Applied organometallic chemistry, 38 (2024), 5; e7415, 26. doi: 10.1002/aoc.7415

  doionlinelibrary.wiley.comdx.doi.org

• Boček Pavlinac, Ida; Persoons, Leentje; Daelemans, Dirk; Starčević, Kristina; Vianello, Robert; Hranjec, Marijana | Novel acrylonitrile derived imidazo[4,5-b]pyridines as antioxidants and potent antiproliferative agents for pancreatic adenocarcinoma // International journal of biological macromolecules, 266 (2024), Part 2; 131239, 16. doi: 10.1016/j.ijbiomac.2024.131239

  doiwww.sciencedirect.comdx.doi.org

• Tolić Čop, Kristina; Perin, Nataša; Hranjec, Marijana; Runje, Mislav; Vianello, Robert; Gazivoda Kraljević, Tatjana; Mutavdžić Pavlović, Dragana | Insight into the degradation of amino substituted benzimidazo[1,2-a]quinolines via a combined experimental and density functional theory study // Journal of pharmaceutical and biomedical analysis, 237 (2024), 115767, 12. doi: 10.1016/j.jpba.2023.115767

  doiwww.sciencedirect.comdx.doi.org

• Novak Jovanović, Ivana; Vianello, Robert; Jadreško, Dijana; Racané, Livio; Hranjec, Marijana | Electrochemical oxidation and superoxide radical scavenging activity of 2-hydroxy/methoxy-phenylbenzothiazole derivatives // Journal of electroanalytical chemistry (1992), 947 (2023), 117787, 11. doi: 10.1016/j.jelechem.2023.117787

  doidx.doi.orgwww.sciencedirect.com

• Beč, Anja; Vianello, Robert; Hranjec, Marijana | Synthesis and spectroscopic characterization of multifunctional D-π-A benzimidazole derivatives as potential pH sensors // Journal of molecular liquids, 386 (2023), 122493, 11. doi: 10.1016/j.molliq.2023.122493

  doiwww.sciencedirect.comdx.doi.org

• Jasprica, Ivona ; Horvat, Petar ; Zrnc, Katarina ; Bonney, Karl J. ; Bjornstad, Vidar ; Hok, Lucija ; Vianello, Robert ; Bregović, Nikola ; Požar, Josip ; Leko, Katarina et al. | Utilization of a kinetic isotope effect to decrease decomposition of ceftriaxone in a mixture of D2O/H2O // European journal of pharmaceutical sciences, 187 (2023), 106461, 18. doi: 10.1016/j.ejps.2023.106461

  doiwww.sciencedirect.com

• Hok, Lucija ; Vianello, Robert | Selective Deuteration Improves the Affinity of Adenosine A2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine // Journal of chemical information and modeling, 63 (2023), 10; 3138-3149. doi: 10.1021/acs.jcim.3c00424

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• Beč, Anja; Racané, Livio; Žonja, Lucija; Persoons, Leentje; Daelemans, Dirk; Starčević, Kristina; Vianello, Robert; Hranjec, Marijana | Biological evaluation of novel amidino substituted coumarin-benzazole hybrids as promising therapeutic agents // RSC medicinal chemistry, 14 (2023), 5; 957-968. doi: 10.1039/D3MD00055A

  doipubs.rsc.orgdx.doi.org

• Matić, Josipa ; Tandarić, Tana ; Radić Stojković, Marijana ; Šupljika, Filip ; Karačić, Zrinka ; Tomašić Paić, Ana ; Horvat, Lucija ; Vianello, Robert ; Tumir, Lidija-Marija | Phenanthridine–pyrene conjugates as fluorescent probes for DNA/RNA and an inactive mutant of dipeptidyl peptidase enzyme // Beilstein journal of organic chemistry, 19 (2023), 550-565. doi: 10.3762/bjoc.19.40

  doiwww.beilstein-journals.orgfulir.irb.hr

• Alizadeh, Abdolali ; Bagherinejad, Akram ; Kayanian, Jasmine ; Vianello, Robert | An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control // RSC Advances, 12 (2022), 54; 34946-34950. doi: 10.1039/d2ra05704b

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• Sakač, Nikola ; Madunić-Čačić, Dubravka ; Marković , Dean ; Hok, Lucija ; Vianello, Robert ; Vrček, Valerije ; Šarkanj, Bojan ; Đurin, Bojan ; Della Ventura , Bartolomeo ; Velotta, Raffaele et al. | Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate // Chemosensors, 10 (2022), 12; 523, 14. doi: 10.3390/chemosensors10120523

  doiwww.mdpi.comfulir.irb.hr

• Pantalon Juraj, Natalija ; Tandarić, Tana ; Tadić, Vanja ; Perić, Berislav ; Moreth, Dominik ; Schatzschneider, Ulrich ; Brozovic, Anamaria ; Vianello, Robert ; Kirin, Srećko I. | Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(II) and Cu(II) complexes // Dalton transactions, 51 (2022), 44; 17008-17021. doi: 10.1039/d2dt02895f

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• Radović, Mia ; Hok, Lucija ; Panić, Manuela ; Cvjetko Bubalo, Marina ; Vianello, Robert ; Vinković, Marijana ; Radojčić Redovniković, Ivana | Deep eutectic solvents as a stabilising medium for NAD coenzyme: unravelling the mechanism behind coenzyme stabilisation effect // Green chemistry, 24 (2022), 19; 7661-7674. doi: 10.1039/d2gc02656b

  doipubs.rsc.orgdoi.org

• Hok, Lucija ; Vianello, Robert ; Matković- Čalogović, Dubravka ; Karanović, Ljiljana ; Roca, Sunčica ; Jaźwiński, Jarosław ; Tašner, Marina ; Vušak, Darko ; Đaković, Marijana ; Popović, Zora | A series of nickel(II) thiocyanate complexes comprising various molar contents of isonicotinamide and water as ligands or co- crystallized moieties – an experimental and computational study // Crystengcomm, 24 (2022), 37; 6564-6578. doi: 10.1039/d2ce00847e

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• Mehić, Emina ; Hok, Lucija ; Wang, Qian ; Dokli, Irena ; Svetec Miklenić, Marina ; Findrik Blažević, Zvjezdana ; Tang, Lixia ; Vianello, Robert ; Majerić Elenkov, Maja | Expanding the scope of enantioselective halohydrin dehalogenases – group B // Advanced synthesis & catalysis, 364 (2022), 15; 2576-2588. doi: 10.1002/adsc.202200342

  doionlinelibrary.wiley.comfulir.irb.hr

• Boček, Ida ; Hok, Lucija ; Persoons, Leentje ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | Imidazo[4,5-b]pyridine derived tubulin polymerization inhibitors: Design, synthesis, biological activity in vitro and computational analysis // Bioorganic chemistry, 127 (2022), 106032, 13. doi: 10.1016/j.bioorg.2022.106032

  doiwww.sciencedirect.comdx.doi.org

• Poje, Goran ; Pessanha de Carvalho, Lais ; Held, Jana ; Moita, Diana ; Prudêncio, Miguel ; Perković, Ivana ; Tandarić, Tana ; Vianello, Robert ; Rajić, Zrinka | Design and synthesis of harmiquins, harmine and chloroquine hybrids as potent antiplasmodial agents // European journal of medicinal chemistry, 238 (2022), 114408, 15. doi: 10.1016/j.ejmech.2022.114408

  doiwww.sciencedirect.comdoi.org

• Alizadeh, Abdolali ; Bagherinejad, Akram ; Kayanian, Jasmine ; Vianello, Robert | An experimental and computational study of new spiro-barbituric acid pyrazoline scaffolds: restricted rotation vs. annular tautomerism // New journal of chemistry, 46 (2022), 15; 7242-7252. doi: 10.1039/d1nj06208e

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• Boček, Ida ; Hranjec, Marijana ; Vianello, Robert | Imidazo[4,5-b]pyridine derived iminocoumarins as potential pH probes: Synthesis, spectroscopic and computational studies of their protonation equilibria // Journal of molecular liquids, 355 (2022), 118982, 12. doi: 10.1016/j.molliq.2022.118982

  doiwww.sciencedirect.comdx.doi.orgfulir.irb.hr

• Hok, Lucija ; Rimac, Hrvoje ; Mavri, Janez ; Vianello, Robert | COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes // Computational and structural biotechnology journal, 20 (2022), 1254-1263. doi: 10.1016/j.csbj.2022.02.020

  doiwww.sciencedirect.comfulir.irb.hr

• Maršavelski, Aleksandra ; Mavri, Janez ; Vianello, Robert ; Stare, Jernej | Why monoamine oxidase B preferably metabolizes N-methylhistamine over histamine: evidence from the multiscale simulation of the rate-limiting step // International journal of molecular sciences, 23 (2022), 3; 1910, 15. doi: 10.3390/ijms23031910

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Camacho-Mojica, Dulce C. ; Ha, Jong-Kwon ; Min, Seung Kyu ; Vianello, Robert ; Ruoff, Rodney S. | Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116 // PCCP. Physical chemistry chemical physics, 24 (2022), 3470-3477. doi: 10.1039/d1cp04177k

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• Perin, Nataša ; Babić, Darko ; Kassal, Petar ; Čikoš, Ana ; Hranjec, Marijana ; Vianello, Robert | Spectroscopic and computational study of the protonation equilibria of amino-substituted benzo[b]thieno[2,3-b]pyrido[1,2-a]benzimidazoles as novel pH-sensing materials // Chemosensors, 10 (2022), 1; 21, 15. doi: 10.3390/chemosensors10010021

  doiwww.mdpi.comdx.doi.orgfulir.irb.hr

• Štefan, Leo ; Čikoš, Ana ; Vianello, Robert ; Đilović, Ivica ; Matković-Čalogović, Dubravka ; Dumić, Miljenko | Chemistry of Spontaneous Alkylation of Methimazole with 1,2-Dichloroethane // Molecules, 26 (2021), 22; 7032, 21. doi: 10.3390/molecules26227032

  doiwww.mdpi.comfulir.irb.hrwww.mdpi.com

• Hranjec, Marijana ; Horak, Ema ; Babić, Darko ; Plavljanin, Sanela ; Srdović, Zrinka ; Murković Steinberg, Ivana ; Vianello, Robert ; Perin, Nataša | Fluorescent benzimidazo[1,2-a]quinolines: synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivity // New journal of chemistry, 41 (2017), 1; 358-371. doi: 10.1039/c6nj02268e

  doipubs.rsc.orgdx.doi.orgfulir.irb.hr

• Beč, Anja ; Hok, Lucija ; Persoons, Leentje ; Vanstreels, Els ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | Synthesis, computational analysis, and antiproliferative activity of novel benzimidazole acrylonitriles as tubulin polymerization inhibitors: Part 2 // Pharmaceuticals, 14 (2021), 10; 1052, 26. doi: 10.3390/ph14101052

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• Boček, Ida ; Starčević, Kristina ; Novak Jovanović, Ivana ; Vianello, Robert ; Hranjec, Marijana | Novel imidazo[4,5-b]pyridine derived acrylonitriles: A combined experimental and computational study of their antioxidative potential // Journal of molecular liquids, 342 (2021), 117527, 14. doi: 10.1016/j.molliq.2021.117527

  doiwww.sciencedirect.comfulir.irb.hrdx.doi.org

• Marinović, Marina ; Poje, Goran ; Perković, Ivana ; Fontinha, Diana ; Prudêncio, Miguel ; Held, Jana ; Pessanha de Carvalho, Lais ; Tandarić, Tana ; Vianello, Robert ; Rajić, Zrinka | Further investigation of harmicines as novel antiplasmodial agents: synthesis, structure-activity relationship and insight into the mechanism of action // European journal of medicinal chemistry, 224 (2021), 113687, 20. doi: 10.1016/j.ejmech.2021.113687

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• Sakač, Nikola ; Madunić-Čačić, Dubravka ; Marković, Dean ; Hok, Lucija ; Vianello, Robert ; Šarkanj, Bojan ; Đurin, Bojan ; Hajdek, Krunoslav ; Smoljan, Božo ; Milardović, Stjepan et al. | Potentiometric surfactant sensor based on 1,3-dihexadecyl-1H-benzo[d]imidazol-3-ium for anionic surfactants in detergents and household care products // Molecules, 26 (2021), 12; 3627, 14. doi: 10.3390/molecules26123627

  doiwww.mdpi.comdx.doi.orgfulir.irb.hr

• Bistrović Popov, Andrea ; Vianello, Robert ; Grbčić, Petra ; Sedić, Mirela ; Kraljević Pavelić, Sandra ; Pavelić, Krešimir ; Raić-Malić, Silvana | Novel bis- and mono-pyrrolo[2,3-d]pyrimidine and purine derivatives: Synthesis, computational analysis and antiproliferative evaluation // Molecules, 26 (2021), 11; 3334, 26. doi: 10.3390/molecules26113334

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• Matić, Josipa ; Jukić, Marijana ; Ismaili, Hamit ; Saftić, Dijana ; Ban, Željka ; Tandarić, Tana ; Vianello, Robert ; Opačak-Bernardi, Teuta ; Glavaš-Obrovac, Ljubica ; Žinić, Biserka | 6-Morpholino- and 6-amino-9-sulfonylpurine derivatives. Synthesis, computational analysis, and biological activity // Nucleosides, nucleotides & nucleic acids, 40 (2021), 4; 470-503. doi: 10.1080/15257770.2021.1896001

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• Hok, Lucija ; Lluch Sanchez, Eloi ; Vianello, Robert ; Kukovec, Boris-Marko ; Popović, Zora | Self‐assembly of cobalt(II) coordination polymers with differently halosubstituted nicotinate ligands and 4,4’‐bipyridine – the effect of the halosubstituent positions on polymer types // European journal of inorganic chemistry, 2021 (2021), 15; 1470-1480. doi: 10.1002/ejic.202100055

  doichemistry-europe.onlinelibrary.wiley.comdoi.org

• Ptiček, Lucija ; Hok, Lucija ; Grbčić, Petra ; Topić, Filip ; Cetina, Mario ; Rissanen, Kari ; Kraljević Pavelić, Sandra ; Vianello, Robert ; Racané, Livio | Amidino substituted 2-aminophenols: biologically important building blocks for the amidino- functionalization of 2-substituted benzoxazoles // Organic & biomolecular chemistry, 19 (2021), 2784-2793. doi: 10.1039/d1ob00235j

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• Hok, Lucija ; Vianello, Robert | Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism // International journal of molecular sciences, 22 (2021), 6; 3193, 16. doi: 10.3390/ijms22063193

  doiwww.mdpi.comwww.mdpi.comdoi.orgfulir.irb.hr

• Prah, Alja ; Purg, Miha ; Stare, Jernej ; Vianello, Robert ; Mavri, Janez | How monoamine oxidase a decomposes serotonin: an empirical valence bond simulation of the reactive step // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 124 (2020), 38; 8259-8265. doi: 10.1021/acs.jpcb.0c06502

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• Perin, Nataša ; Hok, Lucija ; Beč, Anja ; Persoons, Leentje ; Vanstreels, Els ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: Synthesis, biological activity and computational analysis // European journal of medicinal chemistry, 211 (2021), 113003, 14. doi: 10.1016/j.ejmech.2020.113003

  doiwww.sciencedirect.comdx.doi.org

• Hok, Lucija ; Mavri, Janez ; Vianello, Robert | The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions // Molecules, 25 (2020), 24; 6017, 17. doi: 10.3390/molecules25246017

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Rowlands, Gareth J. ; Severinsen, Rebecca J. ; Buchanan, Jenna K. ; Shaffer, Karl J. ; Jameson, Heather T. ; Thennakoon, Nishani ; Leito, Ivo ; Lõkov, Märt ; Kütt, Agnes ; Vianello, Robert et al. | Synthesis and Basicity Studies of Quinolino[7,8‑h]quinoline Derivatives // Journal of organic chemistry, 85 (2020), 11297-11308. doi: 10.1021/acs.joc.0c01428

  doipubs.acs.orgdoi.org

• Roca, Sunčica ; Hok, Lucija ; Vianello, Robert ; Borovina, Mladen ; Đaković, Marijana ; Karanović, Ljiljana ; Vikić-Topić, Dražen ; Popović, Zora | The role of non-covalent intermolecular interactions on the diversity of crystal packing in supramolecular dihalopyridine–silver(I) nitrate complexes // Crystengcomm, 22 (2020), 7962-7974. doi: 10.1039/d0ce01257b

  doi

• Marinović, Marina ; Perković, Ivana ; Fontinha, Diana ; Prudêncio, Miguel ; Held, Jana ; Pessanha de Carvalho, Lais ; Tandarić, Tana ; Vianello, Robert ; Zorc, Branka ; Rajić, Zrinka | Novel Harmicines with Improved Potency against Plasmodium // Molecules, 25 (2020), 19; 4376, 19. doi: 10.3390/molecules25194376

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• Tandarić, Tana ; Prah, Alja ; Stare, Jernej ; Mavri, Janez ; Vianello, Robert | Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study // International journal of molecular sciences, 21 (2020), 17; 6151, 13. doi: 10.3390/ijms21176151

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• Rimac, Hrvoje ; Tandarić, Tana ; Vianello, Robert ; Bojić, Mirza | Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implications // International journal of molecular sciences, 21 (2020), 16; 5740, 14. doi: 10.3390/ijms21165740

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• Pantalon Juraj, Natalija ; Krklec, Marko ; Novosel, Tiana ; Perić, Berislav ; Vianello, Robert ; Raić-Malić, Silvana ; Kirin, Srećko | Copper(II) and zinc(II) complexes of mono- and bis-1,2,3-triazole substituted heterocyclic ligands // Dalton transactions, 49 (2020), 26; 9002-9015. doi: 10.1039/d0dt01244k

  doipubs.rsc.orgdoi.org

• Foretić, Blaženka ; Damjanović, Vladimir ; Vianello, Robert ; Picek, Igor | Novel insights into the thioesterolytic activity of N-substituted pyridinium-4-oximes // Molecules, 25 (2020), 10; 2385, 16. doi: 10.3390/molecules25102385

  doi

• Valadbeigi, Younes ; Vianello, Robert | Is It Possible to Achieve Organic Superbases beyond the Basicity Limit Using Tetrahedrane Scaffolds? // ChemistrySelect, 5 (2020), 19; 5794-5798. doi: 10.1002/slct.202001407

  doidoi.orgchemistry-europe.onlinelibrary.wiley.com

• Pregeljc, Domen ; Teodorescu-Perijoc, Diana ; Vianello, Robert ; Umek, Nejc ; Mavri, Janez | How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational Study // Neurotoxicity research, 37 (2020), 724-731. doi: 10.1007/s12640-019-00149-0

  doidoi.orglink.springer.com

• Pantalon Juraj, Natalija ; Muratović, Senada ; Perić, Berislav ; Šijaković Vujičić, Nataša ; Vianello, Robert ; Žilić, Dijana ; Jagličić, Zvonko ; Kirin, Srećko I. | Structural variety of isopropyl-bis(2- picolyl)amine complexes with zinc(II) and copper(II) // Crystal growth & design, 20 (2020), 4; 2440-2453. doi: 10.1021/acs.cgd.9b01625

  doidoi.orgpubs.acs.org

• Kržan, Mojca ; Keuschler, Jan ; Mavri, Janez ; Vianello, Robert | Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration // Biomolecules, 10 (2020), 2; 196, 10. doi: 10.3390/biom10020196

  doiwww.mdpi.comwww.mdpi.comdoi.orgfulir.irb.hr

• Pantalon Juraj, Natalija ; Miletić, Goran I. ; Perić, Berislav ; Popović, Zora ; Smrečki, Neven ; Vianello, Robert ; Kirin, Srećko I. | Stereochemistry of Hexacoordinated Zn(II), Cu(II), Ni(II), and Co(II) Complexes with Iminodiacetamide Ligands // Inorganic chemistry, 58 (2019), 24; 16445-16457. doi: 10.1021/acs.inorgchem.9b02200

  doipubs.acs.orgdoi.org

• Perković, Ivana ; Raić-Malić, Silvana ; Fontinha, Diana ; Prudêncio, Miguel ; Pessanha de Carvalho, Lais ; Held, Jana ; Tandarić, Tana ; Vianello, Robert ; Zorc, Branka ; Rajić, Zrinka | Harmicines − harmine and cinnamic acid hybrids as novel antiplasmodial hits // European journal of medicinal chemistry, 187 (2020), 111927, 16. doi: 10.1016/j.ejmech.2019.111927

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• Tandarić, Tana ; Hok, Lucija ; Vianello, Robert | From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics – A Computational Mechanistic Study // Croatica chemica acta, 92 (2019), 2; 287-295. doi: 10.5562/cca3592

  doihrcak.srce.hrdoi.orgfulir.irb.hr

• Valadbeigi, Younes ; Vianello, Robert | A density functional theory study on the superacidity of sulfuric, fluorosulfuric, and triflic acid derivatives with two cyclopentadiene rings: ion pairs formation in the gas phase // Journal of physical organic chemistry, 32 (2019), 10; e3995, 10. doi: 10.1002/poc.3995

  doionlinelibrary.wiley.comdoi.org

• Horak, Ema ; Babić, Darko ; Vianello, Robert ; Perin, Nataša ; Hranjec, Marijana ; Murković Steinberg, Ivana | Photophysical properties and immobilisation of fluorescent pH responsive aminated benzimidazo[1,2-a]quinoline-6-carbonitriles // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 227 (2020), 117588, 15. doi: 10.1016/j.saa.2019.117588

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• Cindrić, Maja ; Sović, Irena ; Mioč, Marija ; Hok, Lucija ; Boček, Ida ; Roškarić, Petra ; Butković, Kristina ; Martin-Kleiner, Irena ; Starčević, Kristina ; Vianello, Robert et al. | Experimental and computational study of the antioxidative potential of novel nitro and amino substituted benzimidazole/benzothiazole-2-carboxamides with antiproliferative activity // Antioxidants, 8 (2019), 10; 477, 22. doi: 10.3390/antiox8100477

  doidx.doi.orgwww.mdpi.comfulir.irb.hr

• Toma, Mateja ; Božičević, Lucija ; Lapić, Jasmina ; Djaković, Senka ; Šakić, Davor ; Tandarić, Tana ; Vianello, Robert ; Vrček, Valerije | Transacylation in Ferrocenoyl-Purines. NMR and Computational Study of the Isomerization Mechanism // Journal of organic chemistry, 84 (2019), 19; 12471-12480. doi: 10.1021/acs.joc.9b01944

  doidoi.orgpubs.acs.org

• Tandarić, Tana ; Vianello, Robert | Computational Insight into the Mechanism of the Irreversible Inhibition of Monoamine Oxidase Enzymes by the Antiparkinsonian Propargylamine Inhibitors Rasagiline and Selegiline // ACS Chemical Neuroscience, 10 (2019), 8; 3532-3542. doi: 10.1021/acschemneuro.9b00147

  doipubs.acs.orgdoi.orgfulir.irb.hr

• Matić, Josipa ; Šupljika, Filip ; Tandarić, Tana ; Dukši, Marko ; Piotrowski, Patryciusz ; Vianello, Robert ; Brozović, Anamaria ; Piantanida, Ivo ; Schmuck, Carsten ; Radić Stojković, Marijana | DNA/RNA recognition controlled by the glycine linker and the guanidine moiety of phenanthridine peptides // International journal of biological macromolecules, 134 (2019), 422-434. doi: 10.1016/j.ijbiomac.2019.05.063

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• Valadbeigi, Younes ; Vianello, Robert | Superacidity of -P(OH)3 and -SO(OH)2 derivatives of cyclopentadiene and vinylcyclopentadiene in the gas phase: A computational DFT analysis // International journal of quantum chemistry, 118 (2018), 21; e25754, 10. doi: 10.1002/qua.25754

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• Foretić, Blaženka ; Vianello, Robert ; Matković-Čalogović, Dubravka ; Jadreško, Dijana ; Picek, Igor | Supramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4- oxime cations and hexacyanoferrate(II) anions // New journal of chemistry, 42 (2018), 16115-16126. doi: 10.1039/c8nj03066a

  doi

• Perin, Nataša ; Roškarić, Petra ; Sović, Irena ; Boček, Ida ; Starčević, Kristina ; Hranjec, Marijana ; Vianello, Robert | Amino-substituted benzamide derivatives as promising antioxidant agents: a combined experimental and computational study // Chemical research in toxicology, 31 (2018), 9; 974-984. doi: 10.1021/acs.chemrestox.8b00175

  doipubs.acs.orgdx.doi.org

• Horak, Ema ; Robić, Marko ; Šimanović, Aleksandra ; Mandić, Vilko ; Vianello, Robert ; Hranjec, Marijana ; Murković Steinberg, Ivana | Tuneable solid-state emitters based on benzimidazole derivatives: aggregation induced red emission and mechanochromism of D-π-A fluorophores // Dyes and pigments, 162 (2019), 688-696. doi: 10.1016/j.dyepig.2018.10.069

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• Oanca, Gabriel ; Stare, Jernej ; Vianello, Robert ; Mavri, Janez | Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogs // European journal of pharmacology, 817 (2017), 46-50. doi: 10.1016/j.ejphar.2017.05.061

  doiwww.sciencedirect.com

• Maršavelski, Aleksandra ; Petrović, Dušan ; Bauer, Paul ; Vianello, Robert ; Kamerlin, Shina Caroline Lynn | Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase // ACS Omega, 3 (2018), 4; 3665-3674. doi: 10.1021/acsomega.8b00346

  doipubs.acs.orgfulir.irb.hrpubs.acs.org

• Tandarić, Tana ; Vianello, Robert | Design of Exceptionally Strong Organic Superbases Based on Aromatic Pnictogen Oxides: Computational DFT Analysis of the Oxygen Basicity in the Gas Phase and Acetonitrile Solution // The journal of physical chemistry. A, 122 (2018), 5; 1464-1471. doi: 10.1021/acs.jpca.7b11945

  doipubs.acs.org

• Ban, Željka ; Žinić, Biserka ; Vianello, Robert ; Schmuck, Carsten ; Piantanida, Ivo | Nucleobase–Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNA // Molecules, 22 (2017), 12; 2213, 22. doi: 10.3390/molecules22122213

  doiwww.mdpi.comfulir.irb.hr

• Dabić, Dario ; Brkljačić, Lidija ; Tandarić, Tana ; Žinić, Mladen ; Vianello, Robert ; Frkanec, Leo ; Kobetić, Renata | The Metal effect on self-assembling of oxalamide gelators explored by mass spectrometry and DFT calculations // Journal of the American Society for Mass Spectrometry, 28 (2018), 1; 103-113. doi: 10.1007/s13361-017-1834-5

  doidx.doi.orglink.springer.com

• Jug, Urška ; Pregeljc, Domen ; Mavri, Janez ; Vianello, Robert ; Stare, Jernej | Elementary SN2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulation // Computational and theoretical chemistry, 1116 (2017), 96-101. doi: 10.1016/j.comptc.2017.02.003

  doiwww.sciencedirect.comdoi.org

• Lõkov, Märt ; Tshepelevitsh, Sofja ; Heering, Agnes ; Plieger, Paul G. ; Vianello, Robert ; Leito, Ivo | On the Basicity of Conjugated Nitrogen Heterocycles in Different Media // European journal of organic chemistry, 2017 (2017), 30; 4475-4489. doi: 10.1002/ejoc.201700749

  doionlinelibrary.wiley.comfulir.irb.hr

• Leščić Ašler, Ivana ; Štefanić, Zoran ; Maršavelski, Aleksandra ; Vianello, Robert ; Kojić-Prodić, Biserka | Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosus // Acs chemical biology, 12 (2017), 7; 1928-1936. doi: 10.1021/acschembio.6b01140

  doipubs.acs.org

• Horak, Ema ; Vianello, Robert ; Hranjec, Marijana ; Murković Steinberg, Ivana | Colorimetric and fluorimetric metal ion chemosensor based on a benzimidazole functionalised Schiff base // Supramolecular chemistry, 30 (2018), 10; 891-900. doi: 10.1080/10610278.2018.1436708

  doiwww.tandfonline.comdx.doi.org

• Poberžnik, Matic ; Purg, Miha ; Repič, Matej ; Mavri, Janez ; Vianello, Robert | Empirical Valence Bond Simulations of the Hydride- Transfer Step in the Monoamine Oxidase A Catalyzed Metabolism of Noradrenaline // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 120 (2016), 44; 11419-11427. doi: 10.1021/acs.jpcb.6b09011

  doipubs.acs.org

• Pavlin, Matic ; Repič, Matej ; Vianello, Robert ; Mavri, Janez | The Chemistry of Neurodegeneration: Kinetic Data and Their Implications // Molecular neurobiology, 53 (2016), 3400-3415. doi: 10.1007/s12035-015-9284-1

  doilink.springer.com

• Maršavelski, Aleksandra ; Vianello, Robert | What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine // Chemistry : a European journal, 23 (2017), 12; 2915-2925. doi: 10.1002/chem.201605430

  doionlinelibrary.wiley.com

• Horak, Ema ; Hranjec, Marijana ; Vianello, Robert ; Murković Steinberg, Ivana | Reversible pH switchable aggregation-induced emission of self-assembled benzimidazole-based acrylonitrile dye in aqueous solution // Dyes and pigments, 142 (2017), 108-115. doi: 10.1016/j.dyepig.2017.03.021

  doiwww.sciencedirect.comdx.doi.org

• Horak, Ema ; Vianello, Robert ; Hranjec, Marijana ; Krištafor, Svjetlana ; Karminski Zamola, Grace ; Murković Steinberg, Ivana | Benzimidazole acrylonitriles as multifunctional push-pull chromophores: spectral characterisation, protonation equilibria and nanoaggregation in aqueous solutions // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 178 (2017), 225-233. doi: 10.1016/j.saa.2017.02.011

  doiwww.sciencedirect.comdx.doi.org

• Gregorić, Tomislav ; Sedić, Mirela ; Grbčić, Petra ; Tomljenović Paravić, Andrea ; Kraljević Pavelić, Sandra ; Cetina, Mario ; Vianello, Robert ; Raić-Malić, Silvana | Novel pyrimidine-2,4-dione–1,2,3-triazole and furo[2,3-d]pyrimidine-2-one–1,2,3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation // European journal of medicinal chemistry, 125 (2017), 1247-1267. doi: 10.1016/j.ejmech.2016.11.028

  doiwww.sciencedirect.comdx.doi.org

• Schwamm, Ryan J. ; Vianello, Robert ; Maršavelski, Aleksandra ; García, M. Ángeles ; Claramunt, Rosa M. ; Alkorta, Ibon ; Saame, Jaan ; Leito, Ivo ; Fitchett, Christopher M. ; Edwards, Alison J. et al. | 15N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases // Journal of organic chemistry, 81 (2016), 17; 7612-7625. doi: 10.1021/acs.joc.6b01330

  doipubs.acs.org

• Vianello, Robert ; Kovačević, Borislav ; Ambrožić, Gabriela ; Mavri, Janez ; Maksić, Zvonimir | Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds // Chemical physics letters, 400 (2004), 1-3; 117-121. doi: 10.1016/j.cplett.2004.10.089

  doiwww.sciencedirect.comdoi.org

• Kržan, Mojca ; Vianello, Robert ; Maršavelski, Aleksandra ; Repič, Matej ; Zakšek, Maja ; Kotnik, Kristina ; Fijan, Estera ; Mavri, Janez | The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands // PLoS One, 11 (2016), e0154002-e0154002. doi: 10.1371/journal.pone.0154002

  doijournals.plos.org

• Mavri, Janez ; Matute, Ricardo ; Chu, Zhen ; Vianello, Robert | Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 120 (2016), 14; 3488-3492. doi: 10.1021/acs.jpcb.6b00894

  doipubs.acs.org

• Maršavelski, Aleksandra ; Smrečki, Vilko ; Vianello, Robert ; Žinić, Mladen ; Moguš-Milanković, Andrea ; Šantić, Ana | Supramolecular Ionic-Liquid Gels with High Ionic Conductivity // Chemistry : a European journal, 21 (2015), 34; 12121-12128. doi: 10.1002/chem.201500887

  doionlinelibrary.wiley.comonlinelibrary.wiley.com

• Saftić, Dijana ; Vianello, Robert ; Žinić, Biserka | 5-Triazolyluracils and Their N1-Sulfonyl Derivatives: Intriguing Reactivity Differences in the Sulfonation of Triazole N1'-Substituted and N1'-Unsubstituted Uracil Molecules // European journal of organic chemistry, 35 (2015), 7695-7704. doi: 10.1002/ejoc.201501088

  doionlinelibrary.wiley.comonlinelibrary.wiley.com

• Škalamera, Đani ; Sanders, Ernest ; Vianello, Robert ; Maršavelski, Aleksandra ; Pevec, Andrej ; Turel, Iztok ; Kirin, Srećko I. | Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands // Dalton transactions, 45 (2016), 7; 2845-2858. doi: 10.1039/C5DT03387J

  doidx.doi.orgpubs.rsc.org

• Maršavelski, Aleksandra ; Močibob, Marko ; Gruić- Sovulj, Ita ; Vianello, Robert | The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase // PCCP. Physical chemistry chemical physics, 17 (2015), 29; 19030-19038. doi: 10.1039/C5CP03066H

  doipubs.rsc.orgpubs.rsc.org

• Pirc, Gordana ; Stare, Jernej ; Mavri, Janez ; Vianello, Robert | Hydrogen bond dynamics of histamine monocation in aqueous solution: how geometric arameters influence the hydrogen bond strength // Croatica chemica acta, 87 (2014), 4; 397-405. doi: 10.5562/cca2512

  doihrcak.srce.hrfulir.irb.hr

• Picek, Igor ; Vianello, Robert ; Šket, Primož ; Plavec, Janez ; Foretić, Blaženka | Tandem β-Elimination/hetero-Michael Addition Rearrangement of the N-Alkylated Pyridinium Oxime to O-Alkylated Pyridine Oxime Ether : An Experimental and Computational Study // Journal of organic chemistry, 80 (2015), 4; 2165-2173. doi: 10.1021/jo5026755

  doipubs.acs.org

• Repič, Matej ; Vianello, Robert ; Purg, Miha ; Duarte, Fernanda ; Bauer, Paul ; Kamerlin, Shina C. L. ; Mavri, Janez | Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine // Proteins, 82 (2014), 12; 3347-3355. doi: 10.1002/prot.24690

  doionlinelibrary.wiley.com

• Despotović, Ines ; Vianello, Robert | Engineering exceptionally strong oxygen superbases with 1, 8-diazanaphthalene di-N-oxides // Chemical communications, 50 (2014), 75; 10941-10944. doi: 10.1039/C4CC05125D

  doipubs.rsc.orgfulir.irb.hr

• Curpan, Ramona ; Avram, Sorin ; Vianello, Robert ; Bologa, Cristian | Exploring the biological promiscuity of high- throughput screening hits through DFT calculations // Bioorganic & medicinal chemistry, 22 (2014), 8; 2461-2461. doi: 10.1016/j.bmc.2014.02.055

  doi

• Repič, Matej ; Purg, Miha ; Vianello, Robert ; Mavri, Janez | Examining electrostatic preorganization in monoamine oxidases A and B by structural comparison and pKa calculations // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (2014), 16; 4326-4332. doi: 10.1021/jp500795p

  doi

• Pavlin, Matic ; Mavri, Janez ; Repič, Matej ; Vianello, Robert | Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor // Journal of neural transmission, 120 (2013), 6; 875-882. doi: 10.1007/s00702-013-1016-y

  doilink.springer.com

• Radić, Nena ; Despotović, Ines ; Vianello, Robert | Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic Analysis // Croatica chemica acta, 85 (2012), 4; 495-504. doi: 10.5562/cca2121

  doihrcak.srce.hr

• Glušič, Martina ; Stare, Jernej ; Grdadolnik, Jože ; Vianello, Robert | Binding of cadmium dication to glutathione facilitates cysteine -SH deprotonation: A computational DFT study // Journal of inorganic biochemistry, 119 (2013), 90-94. doi: 10.1016/j.jinorgbio.2012.11.004

  doiwww.sciencedirect.comdx.doi.org

• Vianello, Robert ; Repič, Matej ; Mavri, Janez | How are Biogenic Amines Metabolized by Monoamine Oxidases? // European journal of organic chemistry, 2012 (2012), 36; 7057-7065. doi: 10.1002/ejoc.201201122

  doionlinelibrary.wiley.com

• Maksić, Zvonimir ; Kovačević, Borislav ; Vianello, Robert | Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation : A Theoretical Account // Chemical reviews, 112 (2012), 10; 5240-5270. doi: 10.1021/cr100458v

  doipubs.acs.org

• Borštnar, Rok ; Repič, Matej ; Kamerlin, Shina Caroline Lynn ; Vianello, Robert ; Mavri, Janez | Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B // Journal of chemical theory and computation, 8 (2012), 10; 3864-3870. doi: 10.1021/ct300119u

  doipubs.acs.org

• Vianello, Robert ; Mavri, Janez | Microsolvation of the histamine monocation in aqueous solution : the effect on structure, hydrogen bonding ability and vibrational spectrum // New journal of chemistry, 36 (2012), 954-962. doi: 10.1039/C2NJ20877F

  doipubs.rsc.org

• Borštnar, Rok ; Repič, Matej ; Kržan, Mojca ; Mavri, Janez ; Vianello, Robert | Irreversible Inhibition of Monoamine Ox­idase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study // European journal of organic chemistry, 2011 (2011), 32; 6419-6433. doi: 10.1002/ejoc.201100873

  doionlinelibrary.wiley.com

• Vianello, Robert | Protonation of Azines and Purines as a Model for the Electrophilic Aromatic Substitution – Rationalization by Triadic Formula // Acta chimica slovenica, 58 (2011), 3; 509-520

  acta.chem-soc.si

• Stare, Jernej ; Mavri, Janez ; Grdadolnik, Joze ; Zidar, Jernej ; Maksić, Zvonimir ; Vianello, Robert | Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car-Parrinello Molecular Dynamics and Vibrational Spectroscopy Study // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 115 (2011), 19; 5999-6010. doi: 10.1021/jp111175e

  doipubs.acs.org

• Vianello, Robert ; Maksić, Zvonimir | Polycyano Derivatives of some Organic Tri- and Hexacyclic Molecules are Powerful Super- and Hyperacids in the Gas-Phase and DMSO - Computational Study by DFT Approach // Journal of organic chemistry, 75 (2010), 22; 7670-7681. doi: 10.1021/jo101581a

  doipubs.acs.org

• Coles, Martyn P. ; Aragon-Saez, Pedro J. ; Oakley, Sarah H. ; Hitchcock, Peter B. ; Davidson, Matthew G. ; Maksić, Zvonimir ; Vianello, Robert ; Leito, Ivo ; Kaljurand, Ivari ; Apperley, David C. | Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental Study // Journal of the American Chemical Society, 131 (2009), 46; 16858-16868. doi: 10.1021/ja906618g

  doipubs.acs.orgpubs.acs.org

• Vianello, Robert | Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values // Croatica chemica acta, 82 (2009), 1; 27-39

  hrcak.srce.hrhrcak.srce.hr

• Vianello, Robert ; Maksić, Zvonimir | The engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenes // New journal of chemistry, 33 (2009), 4; 739-748. doi: 10.1039/b816922e

  doiwww.rsc.org

• Vianello, Robert ; Maksić, Zvonimir | Interpretation of Broensted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids // The journal of physical chemistry. A, 111 (2007), 45; 11718-11724-x

  pubs.acs.org

• Vianello, Robert ; Maksić, Zvonimir | Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO - a density functional B3LYP study // New journal of chemistry, 32 (2008), 3; 413-427. doi: 10.1039/B713173A

  doiwww.rsc.orgdoi.org

• Vianello, Robert ; Maksić, Zvonimir | Aromaticity of Rees-type Hydrocarbons - a DFT Computational Study // Structural chemistry, 18 (2007), 6; 821-826-x

• Despotović, Ines ; Maksić, Zvonimir ; Vianello, Robert | Design of Bronsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]Carbonylradialenes // European journal of organic chemistry, 2007 (2007), 20; 3402-3413-x

• Maksić, Zvonimir ; Vianello, Robert | The Physical Origin of Chemical Phenomena - Interpretation of Acidity, Basicity and Hydride Affinity by Trichotomy Paradigm // Pure and applied chemistry, 79 (2007), 6; 1003-1021-x

• Despotović, Ines ; Maksić, Zvonimir ; Vianello, Robert | Computational design of Bronsted neutral organic superbases - [3]iminoradialenes and quinonimines are important synthetic targets // New journal of chemistry, 31 (2007), 52-62-x

• Despotović, Ines ; Maksić, Zvonimir ; Vianello, Robert | Engineering Neutral Organic Bases and Superbases by Computational DFT Methods - Carbonyl Polyenes // European journal of organic chemistry, 24 (2006), 5505-5514-x

• Vianello, Robert ; Peran, Nena ; Maksić, Zvonimir | Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic Formula // European journal of organic chemistry, 4 (2007), 526-539-x

• Vianello, Robert ; Peran, Nena ; Maksić, Zvonimir | Hydride Affinities of some Substituted Alkynes - Prediction by DFT Calculations and Rationalization by Triadic Formula // The journal of physical chemistry. A, 110 (2006), 47; 12870-12881-x

• Vianello, Robert ; Maskill, Howard ; Maksić, Zvonimir | Basicity of amines in the gas phase - Analysis of the base-strengthening effect of an N-trityl group by use of a triadic formula // European journal of organic chemistry, 11 (2006), 2581-2589-x

  dx.doi.org

• Vianello, Robert ; Maksić, Zvonimir | Triadic analysis of substituent effects - gas-phase acidity of para-substituted phenols // Tetrahedron, 62 (2006), 3402-3411-x

• Vianello, Robert ; Maksić, Zvonimir | Towards highly powerful neutral organic superacids - a DFT study of some polycyano derivatives of planar hydrocarbons // Tetrahedron, 61 (2005), 39; 9381-9390-x

• Vianello, Robert ; Maksić, Zvonimir | Extremal Acidity of Rees Polycyanated Hydrocarbons in the Gas Phase and DMSO - a Density Functional Study // Chemical communications, 27 (2005), 3412-3414-x

• Vianello, Robert ; Maksić, Zvonimir | Strong acidity of some polycyclic aromatics annelated to the cyclopentadiene moiety and their cyano derivatives - A density functional B3LYP study // European journal of organic chemistry, 16 (2005), 3571-3580-x

• Vianello, Robert ; Maksić, Zvonimir B. | High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations // Tetrahedron letters, 46 (2005), 3711-3713-x

• Vianello, Robert ; Maksić, Zvonimir | Hydride Affinities of Borane Derivatives: Novel Approach in Determining the Origin of Lewis Acidity Based on Triadic Formula // Inorganic chemistry, 44 (2005), 1095-1102-x

• Vianello, Robert ; Maksić, Zvonimir | Gas-phase acidity of para-substituted benzoic acids - a triadic analysis of substituent effects // Journal of physical organic chemistry, 18 (2005), 699-705-x

• Maksić, Zvonimir ; Vianello, Robert | Extending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of Nonacyanofluorene // Tetrahedron letters, 45 (2004), 8663-8666-x

• Vianello, Robert ; Maksić, Zvonimir | Acidity of Bronsted CH Acids in DMSO - The Extreme Acidity of Nonacyanocyclononatetraene // European journal of organic chemistry, 24 (2004), 5003-5010-x

• Vianello, Robert ; Maksić, Zvonimir | Acidities of Azoles in the Gas Phase and in DMSO - An Ab Initio and DFT Study // Molecular physics, 103 (2005), 209-219-x

• Vianello, Robert ; Liebman, Joel F. ; Maksić, Zvonimir | In Search of Ultrastrong Bronsted Neutral Organic Superacids - A DFT Study of some Cyclopentadiene Derivatives // Chemistry : a European journal, 10 (2004), 5751-5761-x

• Maksić, Zvonimir ; Vianello, Robert | Design of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Isobenzofulvene Derivatives // European journal of organic chemistry, 9 (2004), 1940-1945-x

• Maksić, Zvonimir B. ; Vianello, Robert | Tailoring of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Fulvene Derivatives // New journal of chemistry, 28 (2004), 843-846-x

• Barić, Danijela ; Maksić, Zvonimir B. ; Vianello, Robert | On the Atomic Additivity of the Zero Point Vibrational Energy in Molecules // Journal of molecular structure. Theochem, 1-3 (2004), 672; 201-207-x

• Vianello, Robert ; Maksić, Zvonimir B. | A Combined Ab Initio and Density Functional Study of the Electronic Structure of Thymine and 2-Thiothymine Radicals // Collection of Czechoslovak chemical communications, 68 (2003), 12; 2322-2334-x

• Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert ; Primorac, Miljenko | Computer Aided Design of Organic Superbases - The Role of Intramolecular Hydrogen Bonding // New journal of chemistry, 26 (2002), 1329-1334-x

• Maksić, Zvonimir B. ; Vianello, Robert | How Good is Koopmans' Approximation? - G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules // The journal of physical chemistry. A, 106 (2002), 6515-6520-x

• Vianello, Robert ; Kovačević, Borislav ; Maksić, Zvonimir B. | In Search for Neutral Organic Superbases - Iminopolyenes and Their Amino Derivatives // New journal of chemistry, 26 (2002), 1324-1328-x

• Maksić, Zvonimir B. ; Vianello, Robert | Anionic vs. Neutral Protonation - An Ab Initio Analysis with a Triadic Formula // ChemPhysChem, 3 (2002), 8; 696-700-x

• Maksić, Zvonimir B. ; Vianello, Robert | Quest for the Origin of Basicity: Initial vs. Final State Effect in Neutral Nitrogen Bases // The journal of physical chemistry. A, 106 (2002), 419-430-x

• Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert | The Proton Affinity of Some Extended pi-Systems Involving Guanidine and Cyclopropenimine Subunits // Journal of the Chemical Society. Perkin Transactions 2 (2001), - (2001), -; 886-891. doi: 10.1039/B101213O

  doipubs.rsc.orgdoi.org

Ostalo

• Margetić, Davor ; Vianello, Robert | Scientific Journey of Zvonimir Maksić // Croatica chemica acta, 82 (2009), CXIX-CXXXI

• Maksić, Zvonimir ; Vianello, Robert ; Kovačević, Borislav | O znanstvenoj produktivnosti i kriterijima izvrsnosti // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 56 (2007), 4; 227-228

  hrcak.srce.hr

• Maksić, Zvonimir ; Vianello, Robert | Znanstvena izvrsnost i kompetitivnost // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 57 (2008), 3; 123-126

  hrcak.srce.hr

• Maksić, Zvonimir ; Vianello, Robert | Comment on the paper "On the Limits of Highest-Occupied Molecular Orbital Driven Reactions: The Frontier Effective-for-Reaction Molecular Orbital Concept" // The journal of physical chemistry. A, 110 (2006), 10651-10652-x

Uvodnik

• Margetić, Davor ; Vianello, Robert | Editorial // Croatica chemica acta, 82 (2009), CXVII-CXVII

Pregledni rad (znanstveni)

• Tshepelevitsh, Sofja ; Kütt, Agnes ; Lõkov, Märt ; Kaljurand, Ivari ; Saame, Jaan ; Heering, Agnes ; Plieger, Paul G. ; Vianello, Robert ; Leito, Ivo | On the Basicity of Organic Bases in Different Media // European journal of organic chemistry, 2019 (2019), 40; 6735-6748. doi: 10.1002/ejoc.201900956

  doionlinelibrary.wiley.comdoi.org

• Vianello, Robert ; Domene, Carmen ; Mavri, Janez | The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes // Frontiers in neuroscience, 10 (2016), 327, 24. doi: 10.3389/fnins.2016.00327

  doifulir.irb.hrjournal.frontiersin.org

Prikaz, osvrt, kritika

• Vianello, Robert ; Kirin, Srećko I. | Inovativna rješenja u katalitičkim proizvodnim procesima za potrebe farmaceutske industrije (CAT PHARMA) // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 70 (2021), 11-12; 756-757

  silverstripe.fkit.hrhrcak.srce.hrfulir.irb.hr

Pregledni rad (stručni)

• Hok, Lucija ; Šakić, Davor ; Vrček, Valerije ; Vianello, Robert | Farmaceutski značaj procesa stereoizomerizacije // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, (2023), 1-2; 55-64. doi: 10.15255/kui.2022.027

  doisilverstripe.fkit.hrsilverstripe.fkit.hrhrcak.srce.hrfulir.irb.hr

Neobjavljeni prilog sa skupa

• Bakija, Marija; Perić, Berislav; Vianello, Robert; Kirin, Srećko | Synthesis and characterization of transition metal complexes with chiral monodenate oxazoline ligands // 14th Inorganic & Bioinorganic Chemistry Conference | Lisabon, Portugal, 16.05.2024-18.05.2024

• Bakija, Marija; Perić, Berislav; Vianello, Robert; Kirin, Srećko | Group 11 transition metal complexes of chiral monodentate oxazoline ligands // 8th EuCheMS Conference on Nitrogen Ligands | Cassis, Francuska, 03.06.2024-07.06.2024

  www.cinam.univ-mrs.fr

• Vianello, Robert | With a little help from computer-aided drug design – new antitumor agents as tubulin polymerization inhibitors // IAPC-10 Meeting: Joint World Conferences on Physico Chemical Methods in Drug Discovery and Development and on ADMET and DMPK | Beograd, Srbija, 04.09.2023-06.09.2023

  www.iapchem.org

• Vianello, Robert | Green, greener, in silico! The role of computational methods in chemistry // 4th Meeting of scientists, professionals and students on the topic of environmental protection in the Republic of Croatia (4th ZORH) | Split, Hrvatska, 20.04.2023-21.04.2023

• Sakač, Nikola ; Madunić-Čačić, Dubravka ; Marković, Dean ; Hok, Lucija ; Vianello, Robert ; Vrček, Valerije ; Pukleš, Iva ; Jozanović, Marija | Potentiometric Surfactant Sensor Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate // 5. simpozij supramolekulske kemije | Zagreb, Hrvatska, 08.12.2022-08.12.2022

• Hok, Lucija ; Mavri, Janez ; Vianello, Robert | A computational insight into the effect of deuteration on the H2 receptor histamine binding profile // Virtual Winter School on Computational Chemistry 2022 | online, 21.02.2022-25.02.2022

  winterschool.cc

• Hok, Lucija ; Mavri, Janez ; Vianello, Robert | The effect of deuteration on the histamine binding profile towards H2 receptor: A computational insight into the modified hydrogen bonding interactions // Brainhack Zagreb 2020 | online, 12.11.2020-12.11.2020

  brainhackzg.github.io

• Hok, Lucija ; Perin, Nataša ; Beč, Anja ; Persoons, Leentje ; Vanstreels, Els ; Daelemans, Dirk ; Vianello, Robert ; Hranjec, Marijana | N-substituted benzimidazoles as tubulin polymerization inhibitors // Virtual NGSymposium | online, 24.09.2020-25.09.2020

  ngschool.eu

• Vianello, Robert | Računalom protiv neurodegenerativnih bolesti // 5. simpozij studenata kemičara (SISK5) | Zagreb, Hrvatska, 27.10.2018-27.10.2018

• Vianello, Robert | Mechanistic Studies of Monoamine Oxidases // International Summer School "Multiscale Molecular Simulation for Neurological Targets" | Ljubljana, Slovenija, 20.06.2018-20.06.2018

• Vianello, Robert | Computational analysis of the enzyme catalysis – insight into the activity of monoamine oxidases // Computational Chemistry for Neurological Targets | Beograd, Srbija, 06.05.2015-08.05.2015

• Vianello, Robert | The selectivity and catalytic mechanism of monoamine oxidase enzymes from multiscale computational simulations // Advancing the Frontiers of (Bio)Chemistry with Valence Bond Approaches | Uppsala, Švedska, 23.06.2016-25.06.2016

• Horak, Ema ; Hranjec, Marijana ; Vianello, Robert ; Perin, Nataša ; Murković Steinberg, Ivana | Benzimidazole as a structural unit in optical chemical sensors: the hidden properties of a biologically privileged heterocyclic scaffold // 12th International Symposium on Macrocyclic and Supramolecular Chemistry in conjunction with ISACS | Cambridge, Ujedinjeno Kraljevstvo, 02.07.2017-06.07.2017

• Maršavelski, Aleksandra ; Močibob, Marko ; Gruić-Sovulj, Ita ; Vianello, Robert | Computational investigations of the B. japonicum Gly:CP ligase 1 specificity towards amino acid substrate and aminoacyl carrier protein // AMBER Molecular dynamics workshop | Haifa, Izrael, 26.04.2015-30.04.2015

• Maršavelski, Aleksandra; Stare, Jernej; Vianello, Robert | Computational study of the substrate specificity of monoamine oxidase B // Advancing the Frontiers of (Bio)Chemistry with Valence Bond Approaches | Uppsala, Švedska, 23.06.2016-25.06.2016

• Vianello, Robert | Computational Insight into the Catalytic Activity of Monoamine Oxidase for Targeting Neurological Diseases // 6th EuCheMS Organic Division Young Investigators Workshop | Larnaca, Cipar, 28.08.2014-30.08.2014

• Vianello, Robert | Računalom do novih superkiselina // Festival znanosti 2009 | Zagreb, Hrvatska, 20.04.2009-25.04.2009

  www.festivalznanosti.hr

Diplomski rad

• Perić, Lovorka | Computational Design of some Powerful Hydride Sponges / Maksić, Zvonimir (mentor); Vianello, Robert (neposredni voditelj) . | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2004

• Vianello, Robert | Protonski afiniteti nekih derivata gvanidina / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2000

Doktorska disertacija

• Hok, Lucija | Računalno određivanje utjecaja deuteriranja na vezanje liganada na adenozinski A2A receptor / Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2023

• Tandarić, Tana | Računalno istraživanje mehanizma ireverzibilne inhibicije enzima monoamin-oksidaze B / Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2021

  repozitorij.pmf.unizg.hr

• Maršavelski, Aleksandra | Računalno ispitivanje katalitičke aktivnosti i selektivnosti aminskih oksidaza prema histaminu i N-metilhistaminu / Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2017

  repozitorij.unizg.hr

• Peran, Nena | Računalno istraživanje kiselinsko-baznih svojstava alfa-aminokiselina u vodenim otopinama / Maksić, Zvonimir ; Vianello, Robert (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2010

• Vianello, Robert | Interakcije Lewisovih kiselina i baza / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2003

national representative in the International Society of Theoretical Chemistry and Physics (from 2013)

member of the Croatian Chemical Society (from 2001)

member of the Croatian Society of Chemical Engineers (from 2006)

member of the Croatian Society of Theoretical and Mathematical Biology (from 2003)