| PHYS | Sunday, March 25, 2007 | ||
1:20 PM-4:40 PM McCormick Place South -- Room S402A, Level 4, Oral | |||
Measures of Accuracy and Reliability in Molecular Simulation | |||
| Enzyme and Ribozyme Function | |||
| Sponsored by: | PHYS | ||
| Cosponsored by: | COMP | ||
| Organizers: | Richard Friesner Thomas E. Cheatham III | ||
| Presiding: | Darrin M. York | ||
| 1:20 PM | 55 | Theoretical studies of ribozyme catalysis Darrin M. York | |
| 2:00 PM | 56 | On accuracy and reliability in simulations of enzyme catalysis Arieh Warshel | |
| 2:40 PM | 57 | Toward accurate descriptions of phosphate hydrolysis reactions with QM/MM approach Yang Yang, Qiang Cui | |
| 3:00 PM | 58 | Evaluation of recent methods for examining macromolecular systems B. R. Brooks, Jeffery B. Klauda, H. Lee Woodcock III, Xiongwu Wu | |
| 3:40 PM | 59 | Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics J. Daniel Gezelter, Christopher J. Fennell | |
| 4:20 PM | 60 | “Proton holes” in long-range proton transfer reactions in solution and enzymes Demian Riccardi, Peter Koenig, Qiang Cui | |
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Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007