| COMP | Wednesday, August 22, 2007 | ||
8:30 AM-11:40 AM BCEC -- 161, Oral | |||
Molecular Mechanics | |||
| Exploring Proteins | |||
| Sponsored by: | COMP | ||
| Organizer: | Emilio Xavier Esposito | ||
| Presiding: | Shantanu Sharma | ||
| 8:30 AM | 362 | Coarse master equations for peptide folding kinetics from atomistic molecular simulations Nicolae-Viorel Buchete, Gerhard Hummer | |
| 8:55 AM | 363 | Exploring folding free energy landscapes of biomolecules via Serial Replica Exchange and Simulated Tempering methods using a distributed computing environment Xuhui Huang, Vijay S. Pande | |
| 9:20 AM | 364 | Folding pathways of three-helix proteins Hongxing Lei, Yong Duan | |
| 9:45 AM | Intermission | ||
| 10:00 AM | 365 | Multiscale studies of non-natural peptides Xiao Zhu, Arun Yethiraj, Qiang Cui | |
| 10:25 AM | 366 | To be native or not to be native, that is the question: Studies of the unfolded state structure of the Villin Headpiece Helical Subdomain Daniel P. Raleigh, Lauren Wickstrom, Carlos L. Simmerling | |
| 10:50 AM | 367 | Using inter-residue distances to predict protein structure Christina R. Crecca, Adrian E. Roitberg | |
| 11:15 AM | 368 | Folding of helical structures of alternating pyridinedicarboxamide/M-(phenylazo) azobeneze oligomers Peng Tao, Jon R. Parquette, Christopher M. Hadad | |
Previous Session -- Molecular Mechanics -- Next Session
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007