Dialogues in the Midst: Evaluating Drug Binding in Protein Variants Using Free Energy Perturbation
Friday, March 28, 2025 -
9:00 AM
Monday, March 24, 2025
Tuesday, March 25, 2025
Wednesday, March 26, 2025
Thursday, March 27, 2025
Friday, March 28, 2025
9:00 AM
Registration
Registration
9:00 AM - 9:30 AM
Room: Classrooms 104-105
9:30 AM
Fundamentals of Free Energy Perturbation (FEP)
-
Tandac Furkan Guclu
(
Sabanci University
)
Fundamentals of Free Energy Perturbation (FEP)
Tandac Furkan Guclu
(
Sabanci University
)
9:30 AM - 10:45 AM
Room: Classrooms 104-105
10:45 AM
Coffee Break
Coffee Break
10:45 AM - 11:00 AM
Room: Classrooms 104-105
11:00 AM
Preparing and running the FEP simulations
-
Tandac Furkan Guclu
(
Sabanci University
)
Preparing and running the FEP simulations
Tandac Furkan Guclu
(
Sabanci University
)
11:00 AM - 12:00 PM
Room: Classrooms 104-105
12:00 PM
Lunch Break
Lunch Break
12:00 PM - 1:30 PM
Room: Classrooms 104-105
1:30 PM
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
)
1:30 PM - 2:30 PM
Room: Classrooms 104-105
2:30 PM
Analysis of FEP simulations
-
Tandac Furkan Guclu
(
Sabanci University
)
Analysis of FEP simulations
Tandac Furkan Guclu
(
Sabanci University
)
2:30 PM - 4:00 PM
Room: Classrooms 104-105