| COMP | Sunday, August 19, 2007 | ||
1:00 PM-5:00 PM BCEC -- 156B, Oral | |||
Emerging Technologies | |||
| Competition Symposium | |||
| Organizer: | Curt M. Breneman | ||
| 1:00 PM | Introductory Remarks | ||
| 1:05 PM | 60 | New approaches to quantitative modeling that span the periodic table: The correlation consistent Composite Approach (ccCA) Nathan DeYonker, Thomas R. Cundari, Angela K. Wilson | |
| 1:35 PM | 61 | Accurate coarse-grain modeling of biomembranes Julien Michel, Mario Orsi, Wendy Sanderson, Jonathan W Essex | |
| 2:05 PM | 62 | Reaction path methods based on holonomic constraints Jhih-Wei Chu | |
| 2:35 PM | Intermission | ||
| 2:50 PM | 63 | Conformational sampling by self-organization Fangqiang Zhu, Dimitris K. Agrafiotis | |
| 3:20 PM | 64 | Generalization of the Gaussian Electrostatic Model: A molecular density based force field G. Andres Cisneros, Jean-Philip Piquemal, Thomas A. Darden | |
| 3:50 PM | 65 | Insights into peptide folding from a multiscale coarse-grained model Ian F. Thorpe, Jian Zhou, Gregory A. Voth | |
| 4:20 PM | 66 | Recore: A fast and versatile method for scaffold hopping Patrick C. Maass, Tanja Schulz-Gasch, Martin Stahl, Matthias Rarey | |
| 4:50 PM | Award Presentation | ||
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007