Tuesday, 24 May 2005: 9:00 AM-11:05 AM | |||
Room 211 (Science & Engineering Resource Center) | |||
Computers in Chemistry (COMP) | |||
Computers in Chemistry | |||
| Organizer: | Wendy D. Cornell | ||
| 9:00 AM | Welcoming Remarks | ||
| 9:05 AM | 427 | Relative Strengths of Se-N,O Interactions: Implications for GPx-like Activity Craig A. Bayse | |
| 9:45 AM | 428 | Advances in Conformational Sampling and Free Energy Calculations via Adiabatic Dynamics Jerry B. Abrams, Lula Rosso, Mark E. Tuckerman | |
| 10:25 AM | 429 | Combined use of local and global models for improving the accuracy of in silico ADME/Tox prediction Kevin Scully, Michelle D'Souza, Gregory Banik, Yann Bidault, Jeff Oakes, Deborah Kernan | |
Back to The 37th Middle Atlantic Regional Meeting (May 22-25, 2005)