Fethiye Aylin Sungur
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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
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
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
Modeling the deamidation of asparagine residues via succinimide intermediates
FA Konuklar, V Aviyente, TZ Sen, I Bahar
Molecular modeling annual 7, 147-160, 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
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
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
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
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
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
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
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
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
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
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
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
A computational insight into cyclopropenone activated dehydration reaction of alcohols
MM Tataroğlu, FA Sungur
Journal of Molecular Graphics and Modelling 77, 106-114, 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
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
Mechanistic insights into the challenges of organocatalytic Beckmann rearrangement reactions
M Tataroğlu, FA Sungur
Organic & Biomolecular Chemistry 21 (6), 1254-1263, 2023
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