Monday, September 21

Docking small molecules - Art Olson and Michel Sanner, TSRI

Tuesday, September 22

Developing target dependent libraries, hot spot mapping, screening strategies - Vicki Feher and Robert Swift, UCSD

Wednesday, September 23

Introduction to VMD - Emad Tajkhorshid, UIUC (PDF)
Introduction to NAMD - Emad Tajkhorshid, UIUC (PDF)
Simulating Membrane Proteins - Emad Tajkhorshid, UIUC (PDF)
MDFF Part I - Abhi Singharoy, UIUC (PDF)

Thursday, September 24

Free energy methods - Chris Chipot, UIUC (PDF)
MDFF Part II - Abhi Singharoy, UIUC (PDF)

Friday, September 25

Automated workflows for reproducible MD and small molecule discovery - Rommie Amaro and Ilkay Altintas, UCSD

Click here to see descriptions of tutorials listed in program.

Note: program subject to change. Workshop supported by NIH 9P41GM104601 "Center for Macromolecular Modeling and Bioinformatics".