| Repurposing of FDA‐approved drugs against active site and potential allosteric drug‐binding sites of COVID‐19 main protease M Yuce, E Cicek, T Inan, AB Dag, O Kurkcuoglu, FA Sungur Proteins: Structure, Function, and Bioinformatics 89 (11), 1425-1441, 2021 | 40 | 2021 |
| A computational study on the mechanism and the kinetics of urethane formation M Çoban, FAS Konuklar Computational and Theoretical Chemistry 963 (1), 168-175, 2011 | 39 | 2011 |
| Modelling the hydrolysis of succinimide: formation of aspartate and reversible isomerization of aspartic acid via succinimide FAS Konuklar, V Aviyente Organic & biomolecular chemistry 1 (13), 2290-2297, 2003 | 35 | 2003 |
| Modeling the deamidation of asparagine residues via succinimide intermediates FA Konuklar, V Aviyente, TZ Sen, I Bahar Molecular modeling annual 7, 147-160, 2001 | 35 | 2001 |
| Conformational properties of amphotericin B amide derivatives–impact on selective toxicity H Resat, FA Sungur, M Baginski, E Borowski, V Aviyente Journal of Computer-Aided Molecular Design 14, 689-703, 2000 | 35 | 2000 |
| Theoretical study on the alkaline and neutral hydrolysis of succinimide derivatives in deamidation reactions FA Konuklar, V Aviyente, MF Ruiz Lopez The Journal of Physical Chemistry A 106 (46), 11205-11214, 2002 | 31 | 2002 |
| Solvent‐Catalyzed Ring–Chain–Ring Tautomerization in Axially Chiral Compounds A Yildirim, FAS Konuklar, S Catak, V Van Speybroeck, M Waroquier, ... Chemistry–A European Journal 18 (40), 12725-12732, 2012 | 14 | 2012 |
| Mechanistic study on [3+ 2] cycloaddition and cyclopropanation reactions of 1, 3-dioxepine derivatives in the presence of copper (I) catalyst C Ozen, FAS Konuklar, NS Tuzun Organometallics 28 (17), 4964-4973, 2009 | 11 | 2009 |
| A theoretical study on Rh (I) catalyzed enantioselective conjugate addition reactions of fluoroalkylated olefins E Boz, ZP Haşlak, NS Tuzun, FAS Konuklar Organometallics 33 (19), 5111-5119, 2014 | 10 | 2014 |
| Theoretical study on HF elimination and aromatization mechanisms: a case of pyridoxal 5′ phosphate-dependent enzyme H Gokcan, FAS Konuklar The Journal of Organic Chemistry 77 (13), 5533-5543, 2012 | 8 | 2012 |
| Theoretical studies on the inactivation mechanism of γ-aminobutyric acid aminotransferase AT Durak, H Gökcan, FAS Konuklar Organic & Biomolecular Chemistry 9 (14), 5162-5171, 2011 | 8 | 2011 |
| Bismuth nitrate-promoted disproportionative condensation of indoles with cyclohexanone: a new-type azafulvenium reactivity of indole H Kilic, S Bayindir, E Erdogan, SA Cinar, FAS Konuklar, SK Bali, ... New Journal of Chemistry 41 (18), 9674-9687, 2017 | 7 | 2017 |
| Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model FAS Konuklar, V Aviyente, T Haliloğlu Proteins: Structure, Function, and Bioinformatics 62 (3), 715-727, 2006 | 7 | 2006 |
| Molecular dynamics simulations of apo, holo, and inactivator bound GABA‐at reveal the role of active site residues in PLP dependent enzymes H Gökcan, G Monard, FA Sungur Konuklar Proteins: Structure, Function, and Bioinformatics 84 (7), 875-891, 2016 | 5 | 2016 |
| Theoretical approach to the wear and tear mechanism in triosephoshate isomerase: a QM/MM study FAS Konuklar, V Aviyente, G Monard, MF Ruiz Lopez The Journal of Physical Chemistry B 108 (12), 3925-3934, 2004 | 5 | 2004 |
| Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions H Gökcan, FAS Konuklar Journal of Molecular Graphics and Modelling 51, 173-183, 2014 | 3 | 2014 |
| Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr) M Ayvaz Koroglu, O Kurkcuoglu, FA Sungur Molecular Simulation 47 (18), 1530-1539, 2021 | 2 | 2021 |
| A computational insight into cyclopropenone activated dehydration reaction of alcohols MM Tataroğlu, FA Sungur Journal of Molecular Graphics and Modelling 77, 106-114, 2017 | 2 | 2017 |
| Role of the n+1 amino acid residue on the deamidation of asparagine in pentapeptides HH Ince, FAS Konuklar, I Ugur, ÖA Ozcan, M Sayadi, M Feig, V Aviyente Molecular Physics 113 (23), 3839-3848, 2015 | 2 | 2015 |
| Mechanistic insights into the challenges of organocatalytic Beckmann rearrangement reactions M Tataroğlu, FA Sungur Organic & Biomolecular Chemistry 21 (6), 1254-1263, 2023 | | 2023 |
