PHYSThursday, August 21, 2008

8:20 AM-12:20 PM Loews -- Commonwealth A, Oral
Water Mediated Interactions
Biological Water
Organizers:Dor Ben-Amotz
Hank Ashbaugh
Presiding:Steven Rick
8:20 AMSolvation, sterics, and side chains: Fluidity within proteins' native states
Phillip L. Geissler, Kateri H. DuBay
9:00 AMHydrophobic hydration of proteins: Exploring the influence of surface structure, pressure, and temperature
Peter J. Rossky, Carlos F. Lopez, Pablo G. Debenedetti, Nicolas Giovambattista, Richard K. Darst
9:40 AMHydration dynamics and coupled water-protein fluctuations
Dongping Zhong
10:00 AMEffects of solvation on the conformational properties of peptides and proteins: Atomistic simulations, free energy calculations, and coarse-grained analysis
Jhih-Wei Chu
10:20 AMIntermission
10:40 AMEffective potentials for protein folding and binding: Recent advances in the AGBNP implicit solvent model
Ronald Levy, Emilio Gallicchio
11:20 AMCooperative permeation of ions and water through the selectivity filter of the KcsA ion channel: A novel transition path ensemble study
Ilja V. Khavrutskii, Xiaolin Cheng, Mikolai Fajer, J Andrew McCammon
Paper Withdrawn
12:00 PMMechanism for aqueous glycine condensation
Robert A Vergenz, Eric V Dornshuld, Ramy Mourad, Michelle A Carrasquillo, James W Vickers, Henry F Schaefer III

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The 236th ACS National Meeting, Philadelphia, PA, August 17-21, 2008