Research Group Members
PhD Students
- Nesrin Işıl YAŞAR, PhD Candidate
- Ahmet Tuncer DURAK, PhD Candidate
- Semra ÖZDEMİR SALİHOĞLU, PhD Candidate
- Zehra SARICA, PhD Candidate - (co-supervised by Ö. Kürkçüoğlu)
- Atam Noyan ERÇETİN, PhD Student
MSc Students
- Havvanur EKİNCİ, MSc Student
- Ece BAYRAKTAR, MSc Student
- Sema KOĞAN, MSc Student
Research Areas
Computational Chemistry
- Organocatalytic Reaction Mechanisms
- Metal-Catalyzed Reaction Mechanisms
Design of Drugs and Drug Delivery Systems Using In Silico Methods
- Mechanisms of Antibiotic-Resistant Gram (+)/(-) Bacterial Enzymes and Inhibitor Design
- Mechanism and Inhibitor Design of PAD2 Enzyme Active in Breast Cancer
- Design of Wound Dressings for Controlled Drug Release
- Inactivation Mechanism of GABA-AT Enzyme
Ongoing Projects
- TÜBİTAK 113Z218 Project Leader: Illumination of Cyclopropenyum-Activated Dehydration Reaction Mechanisms: A Computational Approach
- TÜBİTAK 113F342 Project Leader: Born-Oppenheimer Molecular Dynamics of Very Large Biological Systems using Linear Scaling Approximate Quantum Methods
- TÜBİTAK 115Z502 Project Leader: Illumination of the Deacetylation Reaction Mechanism of O-Acetylpeptidoglycan Esterase (Ape1) Enzyme Using In Silico Methods and Inhibitor Design
- TÜBİTAK 113M439 Project Consultant: Design of a Controlled Drug Release System for the Topical Treatment of Chronic Inflammatory Skin Diseases: Steroid-Loaded MOF/Pectin-Containing Wound Dressing
Completed Projects
- TÜBİTAK 104T403 (Researcher): A Computational Study on Factors Affecting the Distribution of Products and the Formation of Oxonium/Carbonylium Ylides in the Reaction of Unsaturated Cyclic Acetals and Ketals with Carbenes
- TÜBİTAK 105E067 (Researcher): A Center of Excellence for Industrial Innovation in Computational Science and Engineering Program
- ITU-BAP (Leader): A Computational Study on Factors Affecting the Distribution of Products and the Formation of Oxonium/Carbonylium Ylides in the Reaction of Unsaturated Cyclic Acetals and Ketals with Carbenes
- TÜBİTAK 108T344 (Leader): A Computational Study on the Mechanism of Inactivation of Gamma-Aminobutyric Acid Aminotransferase (GABA-AT) Enzyme with Vigabatrin
