Dipl. inž. kemije, Prirodoslovno-matematički fakultet, Sveučilište u Zagrebu 1995.

Magistar kemijskih znanosti, Sveučilište u Zagrebu, 1999.

Doktor kemijskih znanosti, Sveučilište u Zagrebu, 2001.

Državna nagrada za znanstvene novake i mlade znanstvenike, 2003.

Nagrada ''Lavoslav Ružička'', Hrvatsko kemijsko društvo, 2004.

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Izvorni znanstveni rad

• Mlakić, Milena; Odak, Ilijana; Barić, Danijela; Talić, Stanislava; Šagud, Ivana; Štefanić, Zoran; Molčanov, Krešimir; Lasić, Zlata; Kovačević, Borislav; Škorić, Irena | New resveratrol analogs as improved biologically active structures: design, synthesis and computational modeling // Bioorganic chemistry, 143 (2024), 106965, 18. doi: 10.1016/j.bioorg.2023.106965

  doiwww.sciencedirect.comdx.doi.org

• Mlakić, Milena; Faraho, Ivan; Odak, Ilijana; Kovačević, Borislav; Raspudić, Anamarija; Šagud, Ivana; Bosnar, Martina; Škorić, Irena; Barić, Danijela | Cholinesterase inhibitory and anti-inflammatory activity of the naphtho- and thienobenzo-triazole photoproducts: experimental and computational study // International journal of molecular sciences, 24 (2023), 19; 14676, 21. doi: 10.3390/ijms241914676

  doiwww.mdpi.comdx.doi.org

• Glasovac, Zoran ; Kovačević, Borislav | Modeling pKa of the Brønsted Bases as an Approach to the Gibbs Energy of the Proton in Acetonitrile // International journal of molecular sciences, 23 (2022), 18; 10576-10592. doi: 10.3390/ijms231810576

  doiwww.mdpi.comfulir.irb.hr

• Bilić, Luka ; Barić, Danijela ; Sandala, Gregory M ; Smith, David M. ; Kovačević, Borislav | Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase // Chemistry : a European journal, 27 (2021), 29; 7930-7941. doi: 10.1002/chem.202100416

  doichemistry-europe.onlinelibrary.wiley.comdoi.org

• Schorr, Pascal ; Kovačević, Borislav ; Volmer, Dietrich A. | Overestimation of 3α- over 3β-25-Hydroxyvitamin D3 Levels in Serum: A Mechanistic Rationale for the Different Mass Spectral Properties of the Vitamin D Epimers // Journal of the American Society for Mass Spectrometry, 32 (2021), 4; 1116-1125. doi: 10.1021/jasms.1c00054

  doipubs.acs.orgdoi.org

• Kögel, Julius F. ; Ullrich, Sebastian ; Kovačević, Borislav ; Wagner, Sebastian ; Sundermeyer, Jörg | Mono‐Phosphazenyl Phosphines (R 2 N) 3 P=N–P(NR 2 ) 2 – Strong P‐Bases, P‐Donors, and P‐Nucleophiles for the Construction of Chelates // Zeitschrift für anorganische und allgemeine Chemie, 646 (2020), 13; 923-932. doi: 10.1002/zaac.202000108

  doionlinelibrary.wiley.comdoi.orgfulir.irb.hr

• Ullrich, Sebastian ; Kovačević, Borislav ; Koch, Björn ; Harms, Klaus ; Sundermeyer, Jörg | Design of non-ionic carbon superbases: second generation carbodiphosphoranes // Chemical science, 10 (2019), 41; 9483-9492. doi: 10.1039/c9sc03565f

  doipubs.rsc.orgdoi.org

• Ullrich, Sebastian ; Barić, Danijela ; Xie, Xiulan ; Kovačević, Borislav ; Sundermeyer, Jörg | Basicity Enhancement by Multiple Intramolecular Hydrogen Bonding in Organic Superbase N, N′, N″, N‴-Tetrakis(3- (dimethylamino)propyl)triaminophosphazene // Organic letters, 21 (2019), 22; 9142-9146. doi: 10.1021/acs.orglett.9b03521

  doipubs.acs.orgdoi.org

• Ullrich, Sebastian ; Kovačević, Borislav ; Xie, Xiulan ; Sundermeyer, Jörg | Phosphazenyl Phosphines: The Most Electron-Rich Uncharged Phosphorus Brønsted and Lewis Bases // Angewandte Chemie. International edition, 58 (2019), 30; 10335-10339. doi: 10.1002/anie.201903342

  doidoi.orgonlinelibrary.wiley.com

• Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David M. ; Kovačević, Borislav | Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 123 (2019), 29; 6178-6187. doi: 10.1021/acs.jpcb.9b04071

  doidoi.orgpubs.acs.org

• Saadat, Kayvan ; Shiri, Ali ; Kovačević, Borislav | Substituted troponimines: when aromatization of the conjugate acid leads to very strong neutral organic superbases // New journal of chemistry, 42 (2018), 17; 14568-14575. doi: 10.1039/c8nj02349b

  doipubs.rsc.org

• Rzagalinski, Ignacy ; Kovačević, Borislav ; Hainz, Nadine ; Meier, Carola ; Tschernig, Thomas ; Volmer, Dietrich A. | Toward Higher Sensitivity in Quantitative MALDI Imaging Mass Spectrometry of CNS Drugs Using a Nonpolar Matrix // Analytical chemistry, 90 (2018), 21; 12592-12600. doi: 10.1021/acs.analchem.8b02740

  doipubs.acs.org

• Kovačević, Borislav ; Barić, Danijela ; Babić, Darko ; Bilić, Luka ; Hanževački, Marko ; Sandala, Gregory M. ; Radom, Leo ; Smith, David M. | Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 // Journal of the American Chemical Society, 140 (2018), 27; 8487-8496. doi: 10.1021/jacs.8b03109

  doipubs.acs.org

• Tomin, Marko ; Tomić, Antonija ; Kovačević, Borislav ; Tomić, Sanja | The Mechanism of Peptide Hydrolysis Catalysed by Dipeptidyl Peptidase III from Bacteroides thetaiotaomicron // Croatica chemica acta, 91 (2018), 2; 187-193. doi: 10.5562/cca3343

  doihrcak.srce.hrfulir.irb.hr

• Kokan, Zoran ; Kovačević, Borislav ; Štefanić, Zoran ; Tzvetkova, Pavleta ; Kirin, Srećko I. | Controlling Orthogonal Self-Assembly through Cis-Trans Isomerization of a Non-Covalent Palladium Complex Dimer // Chemical communications, 54 (2018), 17; 2094-2097. doi: 10.1039/C7CC09537F

  doipubs.rsc.org

• Kogel, Julius F. ; Kovačević, Borislav ; Ullrich, Sebastian ; Xie, Xiulan ; Sundermeyer, Jorg | Chelating P2-Bis-phosphazenes with a (R, R)-1, 2- Diaminocyclohexane Skeleton : Two New Chiral Superbases // Chemistry : a European journal, 23 (2017), 11; 2591-2598. doi: 10.1002/chem.201604522

  doionlinelibrary.wiley.com

• Barić, Danijela ; Kovačević, Borislav | Cyclopropenimine as pincer ligand and strong electron donor in proton sponges // Journal of physical organic chemistry, 29 (2016), 12; 750-758. doi: 10.1002/poc.3579

  doionlinelibrary.wiley.com

• Tomić, Antonija ; Kovačević, Borislav ; Tomić, Sanja | Concerted nitrogen inversion and hydrogen bonding to Glu451 are responsible for protein-controlled suppression of the reverse reaction in the human DPP III // PCCP. Physical chemistry chemical physics, 18 (2016), 39; 27245-27256. doi: 10.1039/C6CP04580D

  doipubs.rsc.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

• Barić, Danijela ; Kovačević, Borislav | Designing a next generation of proton sponges: cyclopropeniminophosphazenes as the strongest pincer ligands // Tetrahedron letters, 57 (2016), 3; 442-445. doi: 10.1016/j.tetlet.2015.12.054

  doidx.doi.orgwww.sciencedirect.com

• Dragičević, Ivan ; Barić, Danijela ; Kovačević, Borislav ; Golding, Bernard T. ; Smith, David Matthew | Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context // Chemistry : a European journal, 21 (2015), 16; 6132-6143. doi: 10.1002/chem.201405741

  doionlinelibrary.wiley.com

• Barić, Danijela ; Kovačević, Borislav | Towards the Strongest Neutral Organic Superbases Based on Intramolecular H-bonds // Croatica chemica acta, 87 (2014), 4; 459-464. doi: 10.5562/cca2490

  doihrcak.srce.hr

• Kobetić, Renata ; Kazazić, Snježana ; Kovačević, Borislav ; Glasovac, Zoran ; Krstulović, Luka ; Bajić, Miroslav ; Žinić, Biserka | Mass Spectrometry and Theoretical Studies on N-C Bond Cleavages in the N-sulfonylamidino Thymine Derivatives // Journal of the American Society for Mass Spectrometry, 26 (2015), 5; 833-842. doi: 10.1007/s13361-014-1068-8

  doilink.springer.com

• Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Cyclopropenimine as a hydrogen bond acceptor— towards the strongest non-phosphorus superbases // Tetrahedron, 70 (2014), 45; 8571-8576. doi: 10.1016/j.tet.2014.09.068

  doiwww.sciencedirect.com

• Kovačević, Borislav ; Schorr, Pascal ; Qi, Yulin ; Volmer, Dietrich A. | Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion Activation // Journal of the American Society for Mass Spectrometry, 25 (2014), 11; 1974-1986. doi: 10.1007/s13361-014-0972-2

  doilink.springer.com

• Kögel, Julius F ; Abacılar, Nuri C ; Weber, Felicia ; Oelkers, Benjamin ; Harms, Klaus ; Kovačević, Borislav ; Sundermeyer, Jörg | Constrained-Geometry Bisphosphazides Derived from 1, 8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical Investigations // Chemistry : a European journal, 20 (2014), 20; 5994-6009. doi: 10.1002/chem.201304498

  doionlinelibrary.wiley.com

• Kögel, Julius F. ; Xie, Xiulan ; Baal, Eduard ; Gesevičius, Donatas ; Oelkers, Benjamin ; Kovačević, Borislav ; Sundermeyer, Jörg | Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry // Chemistry : a European journal, 20 (2014), 25; 7670-7685. doi: 10.1002/chem.201402226

  doionlinelibrary.wiley.comonlinelibrary.wiley.com

• Brkić, Hrvoje ; Kovačević, Borislav ; Tomić, Sanja | Human 3-hydroxyanthranilate 3, 4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational study // Molecular biosystems, 11 (2015), 3; 898-907. doi: 10.1039/C4MB00668B

  doipubs.rsc.orgpubs.rsc.org

• Kögel, Julius F ; Oelkers, Benjamin ; Kovačević, Borislav ; Sundermeyer, Jörg | A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges : The Run for the Best Chelating Ligand for a Proton // Journal of the American Chemical Society, 35 (2013), 47; 17768-17774. doi: 10.1021/ja409760z

  doipubs.acs.org

• Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen Bonds // Journal of organic chemistry, 78 (2013), 8; 4075-4082. doi: 10.1021/jo400396d

  doipubs.acs.org

• 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

• Dörr, Felipe A. ; Kovačević, Borislav ; Maksić, Zvonimir B. ; Pinto, Ernani ; Volmer, Dietrich A. | Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers // Journal of the American Society for Mass Spectrometry, 22 (2011), 11; 2011-2020. doi: 10.1007/s13361-011-0223-8

  doiwww.springerlink.com

• Sandala, Gregory M. ; Kovačević, Borislav ; Barić, Danijela ; Smith, David M. ; Radom, Leo | On the Reaction of Glycerol Dehydratase with But-3-ene-1, 2-diol // Chemistry : a European journal, 15 (2009), 19; 4865-4873. doi: 10.1002/chem.200802640

  doionlinelibrary.wiley.comdoi.org

• Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines // Organic letters, 9 (2007), 23; 4709-4712-x

• Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Pyridine and s -triazine as building blocks of nonionic organic superbases - a density functional theory B3LYP study // New journal of chemistry, 31 (2007), 3; 447-457. doi: 10.1039/B617914B

  doipubs.rsc.org

• Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Derivatives of Azacalix[3](2, 6)pyridine are Strong Neutral Organic Superbases: A DFT Study // Organic letters, 9 (2007), 6; 1101-1104-x

• Kovačević, Borislav ; Despotović, Ines ; Maksić, Zvonimir | In Quest of Strong Neutral Organic Bases and Superbases - Supramolecular Systems Containing Four Pyridine Subunits // Tetrahedron letters, 48 (2007), 2; 261-264-x

• Kovačević, Borislav ; Maksić, Zvonimir | High basicity of tris-(tetramethylguanidinyl)phosphine imide in the gas phase and acetonitrile - a DFT study // Tetrahedron letters, 47 (2006), 2553-2555-x

• Kovačević, Borislav ; Maksić, Zvonimir | High Basicity of Phosphorus Proton Affinity of Tris-(tetramethylguanidinyl)phosphine and Tris-(hexamethyltriaminophosphazenyl)phosphine by the DFT Calculations // Chemical communications, 14 (2006), 1524-1526-x

• Glasovac, Zoran ; Kovačević, Borislav ; Meštrović, Ernest ; Eckert-Maksić, Mirjana | Synthesis and Properties of Novel Guanidine Bases. N, N', N'' tris(3 dimethylaminopropyl)-guanidine // Tetrahedron letters, 46 (2005), 50; 8733-8736-x

• Barić, Danijela ; Kovačević, Borislav ; Maksić, Zvonimir ; Mueller, Thomas | A Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes // The journal of physical chemistry. A, 109 (2005), 46; 10594-10606-x

• Raab, Volker ; Gauchenova, Ekaterina ; Merkoulov, Alexei ; Harms, Klaus ; Sundermeyer, Jorg ; Kovačević, Borislav ; Maksić, Zvonimir | 1, 8-Bis(hexamethyl-triamino-phosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene "Proton Sponge" // Journal of the American Chemical Society, 127 (2005), 45; 15738-15743-x

• Kovačević, Borislav ; Rožman, Marko ; Klasinc, Leo ; Srzić, Dunja ; Maksić, Zvonimir ; Yánez, Manuel | Gas phase structure of protonated histidine and histidine methyl ester - a combined experimental mass spectrometry and theoretical ab initio study // The journal of physical chemistry. A, 109 (2005), 37; 8329-8335. doi: 10.1021/jp053288t

  doipubs.acs.orgdoi.org

• Gattin, Zrinka ; Kovačević, Borislav ; Maksić, Zvonimir B. | Cooperative intramolecular hydrogen bonding effect and basicity - An ab initio and DFT study of the superbasic properties of N-dimethylaminoalkyl-2, 3-diamino-cyclopropeneimines // European journal of organic chemistry, - (2005), 3206-3213-x

• Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir ; Mueller, Thomas | Dominant Role of the Pi Framework in Cyclobutadiene // The journal of physical chemistry. A, 108 (2004), 9126-9133-x

• Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir ; Müller, Thomas | The Origin of Aromaticity - The Important Role of the Sigma Electrons in Benzene // ChemPhysChem, 5 (2004), 1352-1364-x

• Sleno, Lekha ; Kovačević, Borislav ; Maksić, Zvonimir B. ; Volmer, Dietrich A. | Gas-phase Dissociation Reactions of Protonated Saxitoxin and Neosaxitoxin // Journal of the American Society for Mass Spectrometry, 15 (2004), 462-477-x

• Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir B | Basicity of Exceedingly Strong Non-ionic Organic Bases in Acetonitrile - Verkade's Superbase and Some Related Phosphazenes // New journal of chemistry, 28 (2004), 284-288-x

• Raab, Volker ; Harms, Klaus ; Sundermeyer, Jorg ; Kovačević, Borislav ; Maksić, Zvonimir B | 1, 8-Bis(dimethylethyleneguanidino)naphthalene, DMEGN: Tailoring the Basicity of Bisguanidine "Proton Sponges" by Experiment and Theory // Journal of organic chemistry, 68 (2003), 23; 8790-8797-x

• Kovačević, Borislav ; Maksić, Zvonimir B. ; Primorac, Miljenko | Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of Methoxy, Trifluoromethyl and Trifluoromethoxy Groups by Novel Trichotomy Formula // European journal of organic chemistry, 19 (2003), 18; 3777-3783-x

• Kovačević, Borislav ; Liebman, Joel F. ; Maksić, Zvonimir B. | Nibbering's C7H7N: an ab initio study of the structure and electronic properties of benzaldimine and its protonated ion // Journal of the Chemical Society. Perkin Transactions 2 (2001), 9 (2002), -; 1544-1548-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

• 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

• Kovačević, Borislav ; Maksić, Zvonimir B. | The Proton Affinity of the Superbase 1, 8-Bis(tetramethylguanidino)naphthalene and Some Related Compounds - A Theoretical Study // Chemistry : a European journal, 8 (2002), 7; 1694-1702-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

• Kovačević, Borislav ; Glasovac, Zoran ; Maksić, Zvonimir B. | The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of Neutral Organic Molecule: N, N', N''-tris(3-aminopropyl)guanidine and Some Related Systems // Journal of physical organic chemistry, 15 (2002), 11; 765-774-x

• Kovačević, Borislav ; Maksić, Zvonimir B. | Basicity of some Strong Nitrogen Bases in Acetonitrile // Organic letters, 3 (2001), 10; 1523-1526-x

• Kovačević, Borislav ; Maksić, Zvonimir B. | Absolute Proton Affinity of Some Polyguanidines // Journal of organic chemistry, 65 (2000), 11; 3303-3309. doi: 10.1021/jo991592a

  doipubs.acs.org

• Maksić, Zvonimir B. ; Kovačević, Borislav ; Lesar, Antonija | Antiaromatic Systems - G2 Studies of Benzene and Cyclobutadiene // Chemical Physics, 253 (2000), 59-71

• Maksić, Zvonimir B. ; Kovačević, Borislav | Neutral vs. Zwitterionic Form of Arginine-An Ab Initio Study // Journal of the Chemical Society. Perkin transactions II, (1999), 2623-2629-x

• Maksić, Zvonimir B. ; Kovaček, Damir ; Kovačević, Borislav | Further Evidence for Existence of the Mills-Nixon Effect - Ab initio study of the Electrophilic Reactivity in Heteroanalogs of Benzocyclopropene // Electronic journal of theoretical chemistry, 1 (1996), 1; 65-78-x

• Maksić, Zvonimir B. ; Kovačević, Borislav | Towards the Absolute Proton Affinities of 20 alpha-Amino Acids // Chemical physics letters, 307 (1999), 497-504-x

• Maksić, Zvonimir B. ; Kovačević, Borislav | The spatial and electronic structure of highly basic organic molecules: cyclopropeneimines and some related systems // The journal of physical chemistry. A, 103 (1999), 33; 6678-6684-x

• Maksić, Zvonimir B. ; Barić, Danijela ; Kovačević, Borislav | Absolute proton affinities of biphenyl and its derivatives // Journal of the Chemical Society. Perkin transactions II, 5 (1999), 1011-1017. doi: 10.1039/A808501C

  doipubs.rsc.org

• Maksić, Zvonimir ; Kovačević, Borislav | Toward organic superbases: the electronic structure and the absolute proton affinity of quinodiimines and some related compounds // The journal of physical chemistry. A, 102 (1998), 37; 7324-7328. doi: 10.1021/jp981821h

  doipubs.acs.org

• Kovačević, Borislav ; Maksić, Zvonimir ; Rademacher, Paul | High basicity of alkylated 2-tetrazenes: an ab initio study // Chemical physics letters, 293 (1998), 3-4; 245-250-x

• Kovačević, Borislav ; Maksić, Zvonimir | Toward engineering of very strong organic bases: pronounced proton affinity of molecules possessing imino structural and electronic motif // Chemical physics letters, 288 (1998), 2-4; 289-292-x

• Maksić, Zvonimir B. ; Kovačević, Borislav ; Kovaček, Damir | Simple Ab Initio Model for Calculating the Absolute Proton Affinity of Aromatics // The journal of physical chemistry. A, 101 (1997), 40; 7446-7453-x

Ostalo

• Saadat, Kayvan ; Shiri, Ali ; Kovačević, Borislav | Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines // Journal of organic chemistry, 85 (2020), 17; 11375-11381. doi: 10.1021/acs.joc.0c01466

  doi

• 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

Pregledni rad (znanstveni)

• Vazdar, Katarina ; Margetić, Davor ; Kovačević, Borislav ; Sundermeyer, Jörg ; Leito, Ivo ; Jahn, Ullrich | Design of Novel Uncharged Organic Superbases: Merging Basicity and Functionality // Accounts of chemical research, 54 (2021), 15; 3108-3123. doi: 10.1021/acs.accounts.1c00297

  doi

Sažetak izlaganja sa skupa

• Mlakić, Milena ; Odak, Ilijana ; Barić, Danijela ; Kovačević, Boris ; Fodor, Lajos ; Horváth, Ottó ; Škorić, Irena | Resveratrol hybrids as cholinesterase inhibitors and antioxidants: synthesis, bio-metal chelating capability and computational study // 28HSKIKI : 28th Croatian Meeting of Chemists and Chemical Engineers and 6th Symposium Vladimir Prelog : Book of Abstracts. | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2023. str. 104-104

  www.hdki.hr

• Barić, Danijela; Dragičević, Ivan; Kovačević, Borislav; Golding, Bernard T.; Smith, David Matthew | Reduction of Ribonucleotide in Prebiotic Conditions // MIPoMat Workshop Innovative Surfaces and Materials 2016, Book of Abstracts. | 2016. str. 23.-23

  mipomat-workshop.irb.hr

• Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Design of Organophosphorus Superbases with Multiple Intramolecular Hydrogen Bonds // Book of Abstracts. | Dublin, 2014. str. 173-173

• Barić, Danijela ; Kovačević, Borislav ; Sandala, Gregory, M. ; Radom, Leo ; Smith, David, M. | Sucidal Inactivation of B12-dependent Dehydratases – QM//MM Study // ICPOC 21: Book of Abstracts. | Durham: RSC, IUPAC, 2012. str. B09-B09

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory ; Smith, David M ; Radom, Leo | QM/MM study of the inactivation of B12-dependent dehydratases by substrate glycerol. // X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications. | Girona: Institut de Quimica Computational, 2012. str. 64-64

  xgironaseminar.files.wordpress.com

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory ; Smith, David Matthew ; Radom, Leo | QM/MM study of the inactivation of B12-dependent dehydratases by substrate glycerol.. | 2012. str. 1-1

• Smith, David M. ; Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Radom, Leo | A QM/MM Insvestigation of Enzymatic Diol Dehydration // From Solid State To BioPhysics V - 'From Physics To Life Sciences'. | 2010

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Smith, David M. | On the mechanism of biological glycerol dehydration using QM/MM techniques // 2010 International Chemical Congress of Pacific Basin Societies. | Lahti, 2010. str. TECH-173-TECH-173

• Smith, David M. ; Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Radom Leo | Subtle Differences with Important Consequences in Enzymatic Diol Dehydration // The 5th Central European Conference – Chemistry towards Biology. Book of Abstracts. | Zagreb: Institut Ruđer Bošković, 2010. str. 53-53

• Barić, Danijela ; Kovačević, Borislav ; Sandala, Gregory M. ; Radom, Leo ; Smith, David Matthew | Glycerol as a Substrate and Inactivator of B12-dependent Dehydratases - a QM/MM Study // Poster sesion III of the Ninth triennial congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela. | 2011. str. 1-1

• Kovačević, Borislav ; Sandala, Gregory ; Barić, Danijela ; Radom, Leo ; Smith, David Matthew | On the Reaction of Glycerol Dehydratase and But-3-ene-1, 2-diol // Vitamin B12 & Corphins, Organometallic Life on Earth, From Microorganisms to Humans. | 2009. str. 1-1

• Kovačević, Borislav ; Barić, Danijela ; Smith, David Matthew ; Sandala, Gregory M. ; Radom, Leo | Computational Study of the Catalytic Mechanism of B12-Independent Glycerol Dehydratase (GDH) // The 3rd Adriatic Meeting on Computational Solutions in Life Sciences, Book of Abstracts. | Zagreb: Centre for Computational Solutions in Life Sciences, Rudjer Boskovic Institute, 2009. str. 61-61

• Barić, Danijela ; Kovačević, Borislav ; Sandala, Gregory M. ; Smith, David Matthew ; Radom, Leo | Computational Investigation of Enzymatic Dehydration of Glycerol // The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences, Book of Abstracts. | Zagreb: Centre for Computational Solutions in Life Sciences, Rudjer Boskovic Institute, 2009. str. 31-31

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Sandala, Radom, Leo ; Smith, David M. | A Computational Investigation Of Glycerol Dehydration: To B12 Or Not To B12 // XXI. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka. | Zagreb: Petrokemija Kutina, 2009. str. 47-47

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigations of Enzyme Mechanisms: An Application to Glycerol Dehydration // TACC 2008 Book of Abstracts. | 2008

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigations of Enzyme Mechanisms: An Application to the Diol Dehydration // WATOC 2008 Book of Abstracts. | 2008. str. IL076-x

• Kovačević, Borislav ; Sandala, Gregory M. ; Radom, Leo ; Smith, David M. | A QM/MM Investigation of the Catalytic Mechanism of Coenzyme B12-Independent Glycerol Dehydratase // WATOC 2008 Book of Abstracts. | 2008

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigations of Enzyme Mechanisms: An Application to the Dehydration of 1, 2-Diols // International Conference including Biophysics Summer School From Solid State to BioPhysics IV. | 2008

• Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigation of Enzyme Mechanisms: An Application to the B12-Independent Glycerol Dehydratase // Trends in Enzymology "Perspectives en Enzymologie". | 2008

  www.tine2008.com

• Kovačević, Borislav ; Maksić, Zvonimir | Phosphines as record-holder superbases in the gas phase and acetonitrile // XX. jubilarni hrvatski skup kemičara i kemijskih inženjera : Knjiga sažetaka = Book of abstracts. | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007

• Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | In search for new organic superbases - pyridine and triazine as building blocks // XX. hrvatski skup kemičara i kemijskih inženjera - Knjiga sažetaka. | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007

• Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | In pursuit of the new organic superbases - pyridine and triazine as a building blocks // The 2nd Opatija Meeting on Computational Solutions in the Life Sciences. | Zagreb: Institut Ruđer Bošković, 2007. str. 68-x

• Kovačević, Borislav ; Maksić, Zvonimir B. | Design of organic superbases - The influence of hydrogen bond // 2nd Central European Symposium on Theoretical Chemistry. | Nové Hrady, 2003

• Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert | Design of Organic Superbases and Superacids in silico // XIth International Congress of Quantum Chemistry 2003, Program and Abstracts. | Bonn, 2003. str. A86-x

• Kovačević, Borislav ; Glasovac, Zoran ; Maksić, Zvonimir | The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of N, N’ N’ -tris(3-aminopropyl)guanidine and Some Related Systems // XVIII. Hrvatski skup kemičara i kemijskih inženjera : sažeci. | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko društvo, 2003

• Kovačević, Borislav ; Maksić, Zvonimir | The Absolute Proton Affinities of 21 alpha-Amino Acids. | 2001

• Kovačević, Borislav ; Maksić, Zvonimir ; Vianello, Robert | The Proton Affinity of Some Extended pi-Systems // European Symposium on Organic Reactivity. Programme and Abstracts. | Zagreb, 2001

Izvorni znanstveni rad

• Kovačević, Borislav ; Maksić, Zvonimir B. | Computational Design of Highly Potent Organic Superbases // NIC Symposium 2004. | Jülich: NIC-Directors, Research Centre Juelich, 2004. str. 71-80-x

Sažetak izlaganja sa skupa

• Tomić, Sanja ; Kovačević, Borislav ; Tomić, Antonija ; Matovina, Mihaela ; Karačić, Zrinka ; Matić, Sara ; Abramić, Marija ; Agić, Dejan | Understanding h.DPP III mechanism – an aid in rationalization of the mutants (in)activity // European biophysics journal, 2017. str. S179-S179. doi: 10.1007/s00249-017-1222-x

  doilink.springer.comlink.springer.com

Neobjavljeni prilog sa skupa

• Matić, Zrinka; Šantak, Maja; Vujaklija, Dušica; Kovačević, Borislav; Kazazić, Saša | RAČUNALNA EVALUACIJA NOVIH KANDIDATA ZA CJEPIVO PROTIV GRIPE // 6. Simpozij studenata doktorskih studija PMF-a. | Zagreb, Hrvatska, 23.04.2022-24.04.2022

• Matić, Zrinka; Šantak, Maja; Vujaklija, Dušica; Kovačević, Borislav; Kazazić, Saša | DESIGN, STRUCTURE PREDICTION AND MOLECULAR DYNAMICS SIMULATIONS OF THE NEW VACCINE CANDIDATES AGAINST INFLUENZA INFECTION // HDBMB22: From Science to Knowledge | Brela, Hrvatska, 01.01.2022-01.01.2022

• Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David Matthew ; Kovačević, Borislav | Analysis of glycerol binding within the active site of B12‐dependent diol dehydratase; implications for catalysis and inhibition // 26th Croatian Meeting of Chemists and Chemical Engineers (26HSKIKI) and 4th Symposium Vladimir Prelog | Šibenik, Hrvatska, 09.04.2019-12.04.2019

• Bilić, Luka ; Barić , Danijela ; Banhatti, Radha Dilip ; Smith, David Matthew ; Kovačević, Borislav | The Role of Enzyme Dynamics in Understanding of Suicidal Inactivation of B12-dependent Diol Dehydratase // 2nd Mini symposium on radical enzymes | Zagreb, Hrvatska, 18.02.2019-18.02.2019

• Bilić, Luka ; Tomin, Marko ; Barić, Danijela ; Kovačević, Boris ; Smith, David Matthew | MD and DFT study of glycerol binding in B12-dependent diol dehydratase // Computational Chemistry Day 2018 | Zagreb, Hrvatska, 12.05.2018-12.05.2018

  bib.irb.hr

• Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David Matthew ; Kovačević, Borislav | Computational study of glycerol binding within the active site of coenzyme B12-dependent diol dehydratase // Computational Chemistry Day 2019 | Zagreb, Hrvatska, 11.05.2019-11.05.2019

• Bilić, Luka ; Barić, Danijela ; Sandala, M. Gregory ; Radom, Leo ; Kovačević, Borislav | QM/MM study of the inactivation of the B12-dependent dehydratases by substrate glycerol // International Congress Engineering of Advanced Materials (ICEAM) | Erlangen, Njemačka, 10.11.2017-12.11.2017

• Bilić, Luka ; Tomin, Marko ; Barić, Danijela ; Kovačević, Borislav ; Smith, David Matthew | MD and DFT study of glycerol binding in B12-dependent diol dehydratase // AMBER Molecular Dynamics workshop 2018 i Spring School in Computational Chemistry 2018 @ CSC | Espoo, Finska; Haifa, Izrael, 01.01.2018-01.01.2018

• Kokan, Zoran; Kovačević, Borislav; Tzvetkova, Pavleta; Kirin, Srećko I. | Chiral Induction and Hydrogen-Bonded Self-Assembly of Palladium Complexes with Amino Acid Derived Monodentate Phosphine Ligands // International Symposium on Macrocyclic and Supramolecular Chemistry | Cambridge, Ujedinjeno Kraljevstvo, 02.07.2017-06.07.2017

• Kovačević, Borislav ; Sundermeyer, Jorg ; Kogel, Julius, Barić, Danijela | Design of Superbasic Organosphosphorus Compounds // European Symposium on Organic Reactivity | Kiel, Njemačka, 30.08.2015-04.09.2015

  www.sfb677.uni-kiel.de

• Kovačević, Borislav | Organophosphorus Compounds as a Very Strong Bronsted Bases - A Design of New Proton Sponges // 20th International Conference on Phosphorus Chemistry (ICPC 2014) | Dublin, Irska, 28.06.2014-02.07.2014

Magistarski rad (mr. sc. i mr. art.)

• Kovačević, Borislav | Dizajniranje organskih superbaza primjenom kvantno- kemijskih modela / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 1999

Doktorska disertacija

• Kovačević, Borislav | Struktura i protonski afiniteti alfa-amino kiselina / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2001

Diplomski rad

• Borić, Ingo | Fotokemijska sinteza i molekulsko modeliranje novih klorovih derivata naftotriazola / Škorić, Irena; Kovačević, Borislav (mentor). | Zagreb, Fakultet kemijskog inženjerstva i tehnologije, 2024

• Horvaćanin, Izabela | Proučavanje intramolekulskih vodikovih veza u protonskim spužvama kvantno-kemijskim metodama / Kovačević, Borislav (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2019

  zir.nsk.hr

• Gattin, Zrinka | Influence of the Intramolecular Hydrogen Bonds on the Proton Affinity of Substituted Cyclopropenimines / Maksić, Zvonimir (mentor); Kovačević, Borislav (neposredni voditelj) . | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2003

Radovi sa studija

• Borić, Ingo; Horvat, Ian | Novi rezveratrolni derivati kao potencijalno biološki aktivne strukture - dizajn, sinteza i računalno modeliranje / Kovačević, Borislav; Škorić, Irena; Mlakić, Milena (ur.), 2023

Hrvatsko kemijsko društvo (Predsjednik Sekcije za teorijsku i računalnu kemiju)