@article{article, author = {Tataroglu M. M., SUNGUR FETHİYE AYLİN}, title = {Mechanistic insights into the challenges of organocatalytic Beckmann rearrangement reactions}, journal = {Royal Society of Chemistry (RSC)}, year = 2023, month = 1, volume = 21 }

@article{article, author = {ÇİÇEK ERDEM, Monard Gerald, SUNGUR FETHİYE AYLİN}, title = {Molecular Mechanism of Protein Arginine Deiminase 2: A Study Involving Multiple Microsecond Long Molecular Dynamics Simulations}, journal = {BIOCHEMISTRY}, year = 2022, pages = {12}, month = 1 }

@article{article, author = {Ayvaz Köroğlu Merve, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, SUNGUR FETHİYE AYLİN}, title = {Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr)}, journal = {MOLECULAR SIMULATION}, year = 2021, number = 18, pages = {1530-1539}, month = 12, volume = 47 }

@article{article, author = {Yüce Merve, ÇİÇEK ERDEM, İnan Tuğçe, Dağ Aslıhan Başak, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, SUNGUR FETHİYE AYLİN}, title = {Repurposing of FDA-approved drugs against active site and potential allosteric drug-binding sites of COVID-19 main protease}, journal = {Proteins: Structure, Function, and Bioinformatics}, year = 2021, number = 11, pages = {1425-1441}, month = 11, volume = 89 }

@inproceedings{inproceedings, author = {YAŞAR NESRİN IŞIL, İnan Tuğçe, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, SUNGUR FETHİYE AYLİN}, title = {Interaction Energy Analysis of Lidocaine and Papaverine with the Drug Carrier Pectin}, year = 2021, month = 9 }

@inproceedings{inproceedings, author = {AYVAZ KÖROĞLU MERVE,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN}, title = {Controlled Release of Anti-Inflammatory Drugs from Mesoporous Drug Host MIL-101 (Cr), Effect of Framework Flexibility in Molecular Dynamics Simulations}, year = 2018, month = 9 }

@inproceedings{inproceedings, author = {Tataroglu M. M.,SUNGUR FETHİYE AYLİN}, title = {A computational insight into cyclopropenone activated dehydration reaction of alcohols}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {Tataroglu M. M.,Pehlivanoğlu Ela,Monard Gerald,SUNGUR FETHİYE AYLİN}, title = {Mechanistic study on the catalytic mechanism of protein arginine deiminase 2}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {TÜZÜN NURCAN,Tataroğlu Muammer Melin,aksakal zeynep,SUNGUR FETHİYE AYLİN}, title = {the inhibitory effect of quinone derivatives on oacetylpeptidoglucan esterase enzyme}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {AYVAZ KÖROĞLU MERVE,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN}, title = {Molecular modeling of metal organic frameworks for the controlled release of topical steroids}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {aksakal zeynep,Tataroğlu Muammer Melin,SUNGUR FETHİYE AYLİN,TÜZÜN NURCAN}, title = {Modeling of deacetylation reaction mechanism of o-acetylpeptidoglycan esterase with quantum cluster approach}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {Tataroğlu Muammer Melin,Aksakal Zeynep,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN}, title = {A Molecular Docking Study on O-Acetylpeptidoglucan Esterase}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {AYVAZ KÖROĞLU MERVE,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN}, title = {Computational Study on Controlled Release of Anti-Inflammatory Steroids from Mesoporous Metal-Organic Framework, MIL-101(Cr)}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {aksakal zeynep,Tataroğlu Muammer Melin,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN}, title = {O-Asetilpeptidoglikan Esteraz’xxın Deasetilasyon Reaksiyon Mekanizmasinin KuantumKümeleme Yaklaşimi ile Aydinlatilmasi}, year = 2017, month = 10 }

@inproceedings{inproceedings, author = {Tataroğlu Muammer Melin,aksakal zeynep,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN}, title = {A COMPUTATIONAL STUDY ON POTENTIAL NEW INHIBITORS OF OACETYLPEPTIDOGLYCAN ESTERASE}, year = 2017, month = 9 }

@inproceedings{inproceedings, author = {aksakal zeynep,Tataroğlu Muammer Melin,SUNGUR FETHİYE AYLİN,TÜZÜN NURCAN}, title = {QUANTUM CLUSTER APPROACH TO DEACETYLATION REACTION MECHANISMOF O­ACETYLPEPTIDOGLYCAN ESTERASE,}, year = 2017, month = 9 }

@article{article, author = {Tataroglu M. M.,SUNGUR FETHİYE AYLİN}, title = {A computational insight into cyclopropenone activated dehydration reaction of alcohols}, journal = {JOURNAL OF MOLECULAR GRAPHICS MODELLING}, year = 2017, number = null, pages = {106-114}, month = 9, volume = 77 }

@article{article, author = {Bayindir S.,Kilic H.,Erdogan E.,Cinar S. Agopcan,SUNGUR FETHİYE AYLİN,Bali S. K.,Saracoglu N.,AVİYENTE VİKTORYA}, title = {Bismuth nitrate-promoted disproportionative condensation of indoles with cyclohexanone: a new-type azafulvenium reactivity of indole}, journal = {NEW JOURNAL OF CHEMISTRY}, year = 2017, number = 18, pages = {9674-9687}, month = 6, volume = 41 }

@inproceedings{inproceedings, author = {Köroğlu Ayvaz Merve,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN}, title = {METAL ORGANİK KAFES YAPILARININ STEROİDLERİN KONTROLLÜSALIMINDA KULLANIMININ MONTE CARLO TEKNİĞİ İLE ARAŞTIRILMASI}, year = 2016, month = 8 }

@article{article, author = {Gökcan Hatice,Monard Gerald,SUNGUR FETHİYE AYLİN}, title = {Molecular dynamics simulations of apo holo and inactivator bound GABA at reveal the role of active site residues in PLP dependent enzymes}, journal = {Proteins: Structure, Function, and Bioinformatics}, year = 2016, number = 7, pages = {875-891}, month = 7, volume = 84 }

@inproceedings{inproceedings, author = {Aksakal zeynep,Demirkizak Muammer Melin,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN}, title = {A DFT STUDY ON THE MODEL DEACETYLATION REACTION MECHANISM OF O ACETYLPEPTIDOGLYCAN ESTERASE}, year = 2016, month = 1 }

@inproceedings{inproceedings, author = {SUNGUR FETHİYE AYLİN,Muammer Melin Demirkizak}, title = {Computational Insight into Cyclopropropenium ActivatedBeckmann Rearrangement}, year = 2015, month = 8 }

@inproceedings{inproceedings, author = {Muammer Melin Demirkizak,SUNGUR FETHİYE AYLİN,Ayla BaşaranKınalı}, title = {A Computational Approach to Cyclopropropenone Activated Chlorodehydration of Alcohols}, year = 2015, month = 8 }

@article{article, author = {Hasan H Ince,SUNGUR FETHİYE AYLİN,ilke uğur,Ö Alaz Ozcan,Maryam Sayadi,Michael Feig,AVİYENTE VİKTORYA}, title = {Role of the n 1 amino acid residue on the deamidation of asparagine in pentapeptides}, journal = {Molecular Physics}, year = 2015, number = 23, pages = {3839-3848}, month = 8, volume = 113 }

@article{article, author = {BOZ ESRA,HAŞLAK ZEYNEP PINAR,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN}, title = {A Theoretical Study On Rh I Catalyzed Enantioselective Conjugate Addition Reactions of Fluoroalkylated Olefins}, journal = {Organometallics}, year = 2014, number = 19, pages = {5111-5119}, month = 10, volume = 33 }

@article{article, author = {Gökcan Hatice, Konuklar F. Aylin Sungur}, title = {Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions}, journal = {Journal of Molecular Graphics and Modelling}, year = 2014, pages = {173-183}, month = 6, volume = 51 }

@article{article, author = {Hatice Gökcan, F. Aylin Sungur Konuklar}, title = {Theoretical Study On HF Elimination And Aromatization Mechanisms: A Case Of Pyridoxal 5'Phosphate Dependent Enzyme”}, journal = {Journal of Organic Chemistry,}, year = 2013, number = 77, pages = {5533–5543}, volume = 13 }

@article{article, author = {Hatice Gökcan, F. Aylin Sungur Konuklar}, title = {Theoretical Study On HF Elimination And Aromatization Mechanisms: A Case Of Pyridoxal 5'Phosphate Dependent Enzyme”}, journal = {Journal of Organic Chemistry,}, year = 2013, number = 77, pages = {5533–5543}, volume = 13 }

@article{article, author = {Asli Yildirim,SUNGUR FETHİYE AYLİN,Saron Catak,Veronique Van Speybroeck,Michel Waroquier,Ilknur Dogan,AVİYENTE VİKTORYA}, title = {Solvent Catalyzed Ring Chain Ring Tautomerization in Axially Chiral Compounds}, journal = {Chemistry - A European Journal}, year = 2012, number = 40, pages = {12725-12732}, month = 10, volume = 18 }

@article{article, author = {Gökcan Hatice, Konuklar F. Aylin Sungur}, title = {Theoretical Study on HF Elimination and Aromatization Mechanisms A Case of Pyridoxal 5 Phosphate Dependent Enzyme}, journal = {The Journal of Organic Chemistry}, year = 2012, number = 13, pages = {5533-5543}, month = 7, volume = 77 }

@article{article, author = {, A.Yildirim, F. A.Sungur Konuklar, S. Catak, V. Van Speybroeck, M. Waroquier, I. Dogan, V. Aviyente}, title = {Solvent-Catalyzed Ring–Chain–Ring Tautomerization in Axially Chiral Compounds}, journal = {Chemistry A European Journal}, year = 2012, number = 18, pages = {12725-12732}, volume = 40 }

@article{article, author = {, A.Yildirim, F. A.Sungur Konuklar, S. Catak, V. Van Speybroeck, M. Waroquier, I. Dogan, V. Aviyente}, title = {Solvent-Catalyzed Ring–Chain–Ring Tautomerization in Axially Chiral Compounds}, journal = {Chemistry A European Journal}, year = 2012, number = 18, pages = {12725-12732}, volume = 40 }

@article{article, author = {SUNGUR FETHİYE AYLİN,Çoban Mustafa}, title = {A computational study on the mechanism and the kinetics of urethane formation}, journal = {Computational and Theoretical Chemistry}, year = 2011, number = 1, pages = {168-175}, month = 1, volume = 963 }

@article{article, author = {A hmet Tuncer Durak,Gökcan Hatice,SUNGUR FETHİYE AYLİN}, title = {Theoretical studies on the inactivation mechanism of aminobutyric acid aminotransferase}, journal = {Organic & Biomolecular Chemistry}, year = 2011, number = 14, pages = {5162}, month = 1, volume = 9 }

@article{article, author = {Cihan Özen,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN}, title = {Mechanistic Study on 3 2 Cycloaddition and Cyclopropanation Reactions of 1 3 Dioxepine Derivatives in the Presence of Copper I Catalyst}, journal = {Organometallics}, year = 2009, number = 17, pages = {4964-4973}, month = 9, volume = 28 }

@article{article, author = {SUNGUR FETHİYE AYLİN,AVİYENTE VİKTORYA,HALİLOĞLU TÜRKAN}, title = {Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model}, journal = {Proteins: Structure, Function, and Bioinformatics}, year = 2006, number = 3, pages = {715-727}, month = 2, volume = 62 }

@article{article, author = {SUNGUR FETHİYE AYLİN,Gerald Monard,Ruiz Lopez M,AVİYENTE VİKTORYA}, title = {Theoretical Approach to the Wear and Tear Mechanism in Triosephoshate Isomerase A QM MM Study}, journal = {The Journal of Physical Chemistry B}, year = 2004, number = 12, pages = {3925-3934}, month = 3, volume = 108 }

@article{article, author = {Yeliz Aydeniz,OĞUZ SEMİN FUNDA,Arzu Yaman,SUNGUR FETHİYE AYLİN,DOĞAN HATİCE İLKNUR,AVİYENTE VİKTORYA,Roger A Klein}, title = {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}, journal = {Organic & Biomolecular Chemistry}, year = 2004, number = 17, pages = {2426}, month = 1, volume = 2 }

@article{article, author = {SUNGUR FETHİYE AYLİN,AVİYENTE VİKTORYA}, title = {Modelling the hydrolysis of succinimide formation of aspartate and reversible isomerization of aspartic acid via succinimide}, journal = {Organic & Biomolecular Chemistry}, year = 2003, number = 13, pages = {2290}, month = 1, volume = 1 }

@article{article, author = {SUNGUR FETHİYE AYLİN,AVİYENTE VİKTORYA,Lopez Manuel Ruiz}, title = {Theoretical Study on the Alkaline and Neutral Hydrolysis of Succinimide Derivatives in Deamidation Reactions}, journal = {The Journal of Physical Chemistry A}, year = 2002, number = 46, pages = {11205-11214}, month = 11, volume = 106 }

@article{article, author = {SUNGUR FETHİYE AYLİN,AVİYENTE VİKTORYA,Zafer Sen Taner,Bahar Ivet}, title = {Modeling the deamidation of asparagine residues via succinimide intermediates}, journal = {Journal of Molecular Modeling}, year = 2002, pages = {147-160}, month = 1, volume = 7 }

@article{article, author = {Haluk Resat,SUNGUR FETHİYE AYLİN,Maciej Baginski,Edward Borowski,AVİYENTE VİKTORYA}, title = {Conformational properties of amphotericin B amide derivatives Impact on selective toxicity}, journal = {Journal of Computer-Aided Molecular Design}, year = 2000, number = 7, pages = {689-703}, month = 3, volume = 14 }