650 Molecular Simulation and Modeling of Complex Molecules I

Thursday, November 1, 2012: 8:30 AM
411 (Convention Center )
We invite papers presenting computational investigations of large-scale molecules (highly functionalized polymers, biomolecules, aromatics, etc.). Contributions at the quantum, atomistic, or coarse-grained length scales are all acceptable. Papers showing direct comparisons to experimental measurements or theoretical predictions are especially encouraged.

Thermodynamics and Transport Properties
Computational Molecular Science and Engineering Forum (21)

Prof. Jhih-Wei Chu
Email: jwchu@berkeley.edu

Jason E. Bara
Email: jbara@eng.ua.edu

Ateeque Malani
Email: malani@mit.edu

- indicates paper has an Extended Abstract file available on CD.

9:00 AM

9:17 AM
(650c) Twisting Coarse-Grained DNA
Margaret C. Linak and Kevin D. Dorfman
File available
9:34 AM
(650d) Predicting Anti-HIV-1 Activity of Tibo Compounds by QSAR Approach Using a New Topological Index
Wang Qiang, Jia Qingzhu, Ma Peisheng, Xia Shuqian, Tang Hongmei and Deng Yu

10:08 AM

10:42 AM
See more of this Group/Topical: Engineering Sciences and Fundamentals