Dialogues in the Midst: Evaluating Drug Binding in Protein Variants Using Free Energy Perturbation
28 Mart 2025 Cuma -
09:00
24 Mart 2025 Pazartesi
25 Mart 2025 Salı
26 Mart 2025 Çarşamba
27 Mart 2025 Perşembe
28 Mart 2025 Cuma
09:00
Registration
Registration
09:00 - 09:30
Room: Classrooms 104-105
09:30
Fundamentals of Free Energy Perturbation (FEP)
-
Tandac Furkan Guclu
(
Sabanci University
)
Fundamentals of Free Energy Perturbation (FEP)
Tandac Furkan Guclu
(
Sabanci University
)
09:30 - 10:45
Room: Classrooms 104-105
10:45
Coffee Break
Coffee Break
10:45 - 11:00
Room: Classrooms 104-105
11:00
Preparing and running the FEP simulations
-
Tandac Furkan Guclu
(
Sabanci University
)
Preparing and running the FEP simulations
Tandac Furkan Guclu
(
Sabanci University
)
11:00 - 12:00
Room: Classrooms 104-105
12:00
Lunch Break
Lunch Break
12:00 - 13:30
Room: Classrooms 104-105
13:30
Thermodynamic cycles, mutation energies, and relative binding energies
-
Tandac Furkan Guclu
(
Sabanci University
)
Thermodynamic cycles, mutation energies, and relative binding energies
Tandac Furkan Guclu
(
Sabanci University
)
13:30 - 14:30
Room: Classrooms 104-105
14:30
Analysis of FEP simulations
-
Tandac Furkan Guclu
(
Sabanci University
)
Analysis of FEP simulations
Tandac Furkan Guclu
(
Sabanci University
)
14:30 - 16:00
Room: Classrooms 104-105