Prof.Dr. Fethiye Aylin Sungur

Molecular Mechanism of Protein Arginine Deiminase 2: A Study Involving Multiple Microsecond Long Molecular Dynamics Simulations

Çiçek E., Monard G., Sungur F. A.

BIOCHEMISTRY , cilt.61, sa.13, ss.1286-1297, 2022 (SCI-Expanded) Sürdürülebilir Kalkınma

Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr)

Koroglu M. A., Kurkcuoglu O., Sungur F. A.

MOLECULAR SIMULATION , cilt.47, sa.18, ss.1530-1539, 2021 (SCI-Expanded)

Repurposing of FDA-approved drugs against active site and potential allosteric drug-binding sites of COVID-19 main protease

Yüce M., Çiçek E., Inan T., Dag A. B., Kurkcuoglu O., Sungur F. A.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS , cilt.89, sa.11, ss.1425-1441, 2021 (SCI-Expanded) Sürdürülebilir Kalkınma

A computational insight into cyclopropenone activated dehydration reaction of alcohols

TATAROĞLU M., Sungur F. A.

Journal of Molecular Graphics and Modelling , cilt.77, ss.106-114, 2017 (SCI-Expanded)

Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes

Gokcan H., MONARD G., KONUKLAR F. A. S.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS , cilt.84, sa.7, ss.875-891, 2016 (SCI-Expanded) Sürdürülebilir Kalkınma

Role of the n+1 amino acid residue on the deamidation of asparagine in pentapeptides

Ince H. H., KONUKLAR F. A. S., UGUR I., Ozcan O. A., Sayadi M., Feig M., et al.

MOLECULAR PHYSICS , cilt.113, sa.23, ss.3839-3848, 2015 (SCI-Expanded)

Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions

Gokcan H., KONUKLAR F. A. S.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING , cilt.51, ss.173-183, 2014 (SCI-Expanded)

Solvent-Catalyzed Ring-Chain-Ring Tautomerization in Axially Chiral Compounds

Yildirim A., KONUKLAR F. A. S., CATAK S., VAN SPEYBROECK V., WAROQUIER M., Dogan I., et al.

CHEMISTRY-A EUROPEAN JOURNAL , cilt.18, sa.40, ss.12725-12732, 2012 (SCI-Expanded)

Theoretical Study on HF Elimination and Aromatization Mechanisms: A Case of Pyridoxal 5 ' Phosphate-Dependent Enzyme

Gokcan H., KONUKLAR F. A. S.

JOURNAL OF ORGANIC CHEMISTRY , cilt.77, sa.13, ss.5533-5543, 2012 (SCI-Expanded)

Theoretical studies on the inactivation mechanism of gamma-aminobutyric acid aminotransferase

Durak A. T., GOKCAN H., KONUKLAR F. A. S.

ORGANIC & BIOMOLECULAR CHEMISTRY , cilt.9, sa.14, ss.5162-5171, 2011 (SCI-Expanded)

A computational study on the mechanism and the kinetics of urethane formation

Coban M., KONUKLAR F. A. S.

COMPUTATIONAL AND THEORETICAL CHEMISTRY , cilt.963, sa.1, ss.168-175, 2011 (SCI-Expanded) Sürdürülebilir Kalkınma

Mechanistic Study on [3+2] Cycloaddition and Cyclopropanation Reactions of 1,3-Dioxepine Derivatives in the Presence of Copper(I) Catalyst

Ozen C., KONUKLAR F. A. S., Tüzün N.

ORGANOMETALLICS , cilt.28, sa.17, ss.4964-4973, 2009 (SCI-Expanded)

Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model

Konuklar F. A., Aviyente V., HALILOGLU T.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS , cilt.62, sa.3, ss.715-727, 2006 (SCI-Expanded)

Theoretical approach to the wear and tear mechanism in triosephoshate isomerase: A QM/MM study

Konuklar F. A., Aviyente V., MONARD G., LOPEZ A.

JOURNAL OF PHYSICAL CHEMISTRY B , cilt.108, sa.12, ss.3925-3934, 2004 (SCI-Expanded)

Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states

Aydeniz Y., OGUZ F., YAMAN A., KONUKLAR A., Dogan I., Aviyente V., et al.

ORGANIC & BIOMOLECULAR CHEMISTRY , cilt.2, sa.17, ss.2426-2436, 2004 (SCI-Expanded)

Modelling the hydrolysis of succinimide: formation of aspartate and reversible isomerization of aspartic acid via succinimide

Aylin F. A., KONUKLAR S., Aviyente V.

ORGANIC & BIOMOLECULAR CHEMISTRY , cilt.1, sa.13, ss.2290-2297, 2003 (SCI-Expanded)

Theoretical study on the alkaline and neutral hydrolysis of succinimide derivatives in deamidation reactions

Konuklar F. A., Aviyente V., LOPEZ M.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.106, sa.46, ss.11205-11214, 2002 (SCI-Expanded)

Modeling the deamidation of asparagine residues via succinimide intermediates

Konuklar F. A., AVİYENTE V., Sen T., Bahar I.

JOURNAL OF MOLECULAR MODELING , cilt.7, sa.5, ss.147-160, 2001 (SCI-Expanded)

Conformational properties of amphotericin B amide derivatives - impact on selective toxicity

Resat H., Sungur F. A., BAGINSKI M., BOROWSKI E., Aviyente V.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN , cilt.14, sa.7, ss.689-703, 2000 (SCI-Expanded)

Prof.Dr. Fethiye Aylin Sungur

Yayınlar & Eserler

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler