Study of ion transport across membrane channels using molecular dynamics (MD) methods. Modeling of ion channels using crystal and/or simplified structures (e.g. potassium, sodium and gramicidin channels). Permeation mechanisms in multi-ion channels. Structure-function relationships.
• Workstation
• Server
• Desktop computer
• Prof. Dr. Turgut Bastug
• Prof. Dr. Baris Bagci
• Dr. Murat Sergeant
• Ali Osman Acar
• Barkay Arslan
• 119F016 TÜBİTAK Project. Development and Application of Numerical Free Energy Calculation Methods That Do Not Require Equilibrium For Biomolecular Systems
• 115Z505 TÜBİTAK Project. Molecular Modeling of Toxin Binding to Sodium Channels (Nav1)
Energetics of ion conduction in the NavMs channel, Korpe, E .; Acar, A. O .; Cavus, M .; et al. EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS Volume: 46 Supplement: 1 Pages: S266-S266 Meeting Abstract: P-586 Published: JUL 2017
Molecular Modeling of Mammalian Na (v) 1.4 Channel, Acar, Ali O .; Korpe, Esra; Cavus, Murat; et al. BIOPHYSICAL JOURNAL Volume: 112 Issue: 3 Supplement: 1 Pages: 106A-107A Meeting Abstract: 532-Pos Published: FEB 3 2017
Mechanism and Energetics of Ion and Tetrodotoxin Binding to NavMs Channel, Korpe, Esra; Acar, Ali Osman; Cavus, Murat; et al. BIOPHYSICAL JOURNAL Volume: 112 Issue: 3 Supplement: 1 Pages: 107A-107A Meeting Abstract: 533-Pos Published: FEB 3 2017