Molecular Modeling And Molecular Simulation Course

1. Lecture 1
2. Lecture 2
3. Lecture 3
4. Lecture 4
5. Lecture 5
6. Lecture 6
7. Lecture 7
8. Lecture 8

    Assignment

1. Lecture 1 Assignment
2. Lecture 2 Assignment
3. Lecture 3 Assignment
4. Lecture 4 Assignment
5. Lecture 5 Assignment
6. Lecture 6 Assignment
7. Lecture 7 Assignment
8. Lecture 8 Assignment

    Materials

1. Lecture 1 Material    
2. Lecture 2 Material    
3. Lecture 3 Material    
4. Lecture 4 Material    
5. Lecture 5 Material    
6. Lecture 6 Material    
7. Lecture 7 Material    
8. Lecture 8 Material    

    Projects

1. Project 1: Virtual Screening
2. Project 2: MD Simulations
3. Project 3: Binding Free Energy Calculations With MM-PB/GBSA
   • Structures
   • Conformational Entropy by Quasi-harmonoc analysis
   • MM-GBSA (GB1)
   • MM-GBSA (GB2)
   • MM-GBSA (GB5)
   • MM-PBSA (PB)
   • Summary of the MM-PB/GBSA