Projects per year
Project Details
Description
Thepurposeofthisprojectistocomparefastapproximate solvation free energy models with more accurate calculations obtained by solving the Poisson-Boltzmann equation. We have done this for peptides up to length 9 for three solvation models: the generalized Born mode, a surface area-based model, and the distance dependent dielectric model. Future work will extend the comparisons to larger structures and will involve development of improved models with respect to speed and accuracy.
| 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
- Physical and Theoretical Chemistry
- Statistics, Probability and Uncertainty
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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