Computational Biophysics Workshop - Pittsburgh, Nov. 28 - Dec. 1, 2005
Program
Locations:
-
Morning lecture sessions were held in the Social Room, and afternoon tutorial sessions were held in the Computer Training Center
Mon, 11/28: Introduction to Protein
Structure and
Dynamics, K. Schulten
| 08:30-08:45 | Workshop Registration |
| 08:45-09:00 | Opening Remarks - Ralph Roskies |
| 09:00-09:30 | Overview of National Resource for Biomedical Supercomputing (NRBSC) |
| 09:30-10:30 | Molecular Graphics Perspective of Protein Structure and Function |
| Coffee Break | |
| 10:50-12:00 | Molecular Dynamics Method |
| 12:00-12:30 | Daily Q & A |
| Lunch Break | |
| 13:30-13:45 | Overview of Hands-on Sessions |
| 13:45-14:30 | Molecular Graphics Tutorial |
| Coffee Break | |
| 14:45-17:00 | Molecular Graphics Tutorial (continued) |
Tue, 11/29: Statistical Mechanics of Proteins, K. Schulten
| 09:00-10:00 | Molecular Dynamics with NAMD |
| 10:00-11:00 | Equilibrium Properties of Proteins |
| Coffee Break | |
| 11:15-12:15 | Nonequilibrium Properties of Proteins |
| 12:15-12:30 |
Daily Q & A Group photo |
| Lunch Break | |
| 13:30-15:30 | Molecular Dynamics Tutorial |
| Coffee Break | |
| 15:45-17:00 | Molecular Dynamics Tutorial (continued) |
Wed, 11/30: Parameters for Classical Force Fields, E. Tajkhorshid
| 09:00-10:00 | Introduction to Classical Force Fields |
| 10:00-11:00 | Force Fields Parameterization |
| Coffee Break | |
| 11:15-12:15 | Applications |
| 12:15-12:30 | Daily Q&A |
| Lunch Break | |
| 13:30-15:00 | Paramaterizing a Novel Residue |
| Coffee Break | |
| 15:15-17:00 | Topology File Tutorial |
Thu, 12/1: Simulating Membrane Channels, E. Tajkhorshid
| 09:00-10:00 | Transport in Membrane Channels |
| 10:00-10:30 | Nanotubes |
| 10:30-10:40 | Daily Q&A |
| Coffee Break/Evaluations | |
| 10:50-12:30 | Nanotubes/IMD |
| Lunch Break | |
| 13:30- | Open tutorial work time |
