Computational Biophysics Workshop - Dalian Institute of Chemical Physics, July 9-13, 2018
Tutorials
Below are planned tutorials listed by workshop day. More TCBG tutorials are available here.
Monday, July 9: Introduction to MD and VMD/NAMD
Tuesday, July 10: Alchemical and Geometrical Free-Energy Calculations
- A Tutorial on Alchemical Free Energy Perturbation Calculations in NAMD
- A Tutorial on Adaptive Biasing Force Calculations in NAMD
- Methods for Calculating Potentials of Mean Force
Wednesday, July 11: Protein-ligand Binding; Force-field Parametrization
- Protein:ligand Standard Binding Free Energies: A Tutorial for Alchemical and Geometrical Transformations
- Parameterizing Small Molecules Using Force Field Toolkit (ffTK)