Projects per year
Project Details
Description
Wearetryingtocalculatetherelativebinding-freeenergiesof various drugs to the HIV aspartyl protease. We have chosen a series of closely related compounds for which both high resolution x-ray structures and binding affinities are available. Preliminary results utilize a continuum solvation model and the OPLS-AA force field of Jorgensen and coworkers are highly encouraging. A. Scientific Subproject
| Status | Finished |
|---|---|
| Effective start/end date | 10/1/95 → 9/30/99 |
Funding
- National Center for Research Resources: US$43,625.00
ASJC Scopus Subject Areas
- Cell Biology
- Statistics and Probability
- Infectious Diseases
- Immunology
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Projects
- 1 Finished
-
THEORETICAL SIMULATION OF BIOLOGICAL SYSTEMS
Friesner, R. A. (PI) & Berne, B. J. (CoPI)
National Center for Research Resources
9/30/91 → 5/4/00
Project: Research project