Session: General Oral: Molecular Mechanics and Simulation


COMP		Sunday, 10 September 2006

8:30 AM-12:05 PM Moscone Center -- Room 208/210, Oral
General Oral: Molecular Mechanics and Simulation

Organizer:	Jeffry D. Madura
8:30 AM	24	Solvent-induced attraction between repulsive ions Samuel J Keasler, Bin Chen, Ricky B Nellas
8:55 AM	25	How well does Poisson-Boltzmann solvent compare with explicit solvent? Chunhu Tan, Ray Luo
9:20 AM	26	Electrostatic and solvent-structure forces in molecular interactions: Competition of forces in solution and semi-continuum representation of solvent-induced forces Sergio A. Hassan
9:45 AM	27	Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model Chia-en Chang, Tongye Shen, Joanna Trylska, Valentina Tozzini, J Andrew McCammon
10:10 AM		Intermission
10:25 AM	28	A coarse-grain model of DNA Thomas A. Knotts IV, Nitin Rathore, Juan J. de Pablo
10:50 AM	29	Generalized coarse-grained model based on Gay-Berne and point multipole potentials Pavel A. Golubkov, Pengyu Ren
11:15 AM	30	Structure and dynamics of the full-length lipid-modified H-ras protein in a DMPC bilayer Alemayehu A. Gorfe, J Andrew McCammon
11:40 AM	31	Understanding self-assembling cyclic peptide nanotubes in lipid bilayer by molecular dynamics Ekta Khurana, Michael L. Klein

General Oral: Molecular Mechanics and Simulation -- Next Session