| PHYS | Wednesday, 31 August 2005 | ||
1:20 PM-4:40 PM Washington DC Convention Center -- 143A, Oral | |||
Computational Exploration of Energy Landscapes: Challenges and Solutions | |||
| Potential Energy Functions for Biologically Relevant Systems | |||
| Organizers: | C. David Sherrill Anna I. Krylov | ||
| Presiding: | Steven R. Gwaltney | ||
| 1:20 PM | 209 | Quantum chemical and mixed quantum mechanics/molecular mechanics modeling of protein energy landscapes Richard A. Friesner | |
| 2:00 PM | 210 | Examining reaction processes in macromolecular systems Bernard R. Brooks, H. Lee Woodcock III | |
| 2:40 PM | 211 | Improvements in the CHARMM all-atom force fields for biomolecules Alexander D. MacKerell Jr. | |
| 3:20 PM | Intermission | ||
| 3:40 PM | 212 | Correlated ab initio QM/MM studies on enzymes Walter Thiel | |
| 4:20 PM | 213 | Induction and dispersion interactions via MAME distributed polarizabilities: Polarization and hydrogen bonding in water Eugene V. Tsiper | |
Previous Session -- Computational Exploration of Energy Landscapes: Challenges and Solutions -- Next Session
Symposium Grid -- Division of Physical Chemistry -- Session Listing
Symposium Grid -- Biotech -- Session Listing
Symposium Grid -- Energy -- Session Listing
Symposium Grid -- Green Chemistry/Pollutants/Sustainability -- Session Listing
The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005