Busath Lab Molecular Dynamics
Welcome to the home page of Dr. David Busath’s Molecular Modeling and Dynamics course.
Packages / tools covered:
CHARMM Labs:
- Introduction to the Protein Data Bank and VMD
- Introduction to CHARMM
- Molecular Structure and Manipulation
- Energy Minimization
- Introduction to Dynamics
- Umbrella Sampling
- Homology Modeling
- Free-Energy Perturbation
NAMD (+ CHARMM) Labs:
- Introduction to NAMD and Collective Variables
- Building and Simulating a Protein-Bilayer System
- Ligand Umbrella Sampling in a Protein-Bilayer System
Resources:
Contributors:
- Dr. David Busath: Labs 1-4, 6
- Richard Swensen: Various
- Mitchell Gleed: Lab 8, NAMD labs 1-3, Github pages
- Curtis Evans: Labs 7, 8
- Mark Fowler: Lab 7
- Matt Durrant: Lab 5