| PHYS | Wednesday, March 28, 2007 | ||
1:20 PM-4:40 PM McCormick Place South -- Room S402A, Level 4, Oral | |||
Measures of Accuracy and Reliability in Molecular Simulation | |||
| Force Fields/Simulation Methods | |||
| Sponsored by: | PHYS | ||
| Cosponsored by: | COMP | ||
| Organizers: | Richard Friesner Thomas E. Cheatham III | ||
| Presiding: | Alexander D. MacKerell Jr. | ||
| 1:20 PM | 231 | Effects of different ensembles in molecular dynamics Bruce J Berne | |
| 2:00 PM | 232 | Optimization and validation of a polarizable force field based on the classical Drude oscillator Alexander D. MacKerell Jr. | |
| 2:40 PM | 233 | The dielectric constant of liquid NMA from a polarizable Drude oscillator model Edward Harder, Victor M. Anisimov, Alexander D. MacKerell Jr., Benoît Roux | |
| 3:00 PM | 234 | Extending the reach of molecular force fields Wolfgang Damm, Jon Maple, Mark Reboul, Thomas A. Halgren | |
| 3:40 PM | 235 | Improved force fields and simulation methodologies for biological macromolecules Charles L. Brooks III | |
| 4:20 PM | 236 | Nucleation: A new challenge to current force fields Ricky B. Nellas, Matthew E McKenzie, Samuel J. Keasler, Bin Chen | |
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Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007