PHYSTuesday, March 27, 2007

1:20 PM-4:40 PM McCormick Place South -- Room S402A, Level 4, Oral
Measures of Accuracy and Reliability in Molecular Simulation
Protein Dynamics, Solvation, and Association
Organizers:Richard A. Friesner
Thomas E. Cheatham III
Presiding:Carlos L. Simmerling
1:20 PMUsing Folding@home distributed computing for high precision tests of accuracy in protein kinetics and thermodynamics
Vijay S. Pande
2:00 PMCan molecular dynamics simulations accurately model conformational changes in proteins?
Carlos L. Simmerling
2:40 PMConformation and dynamics of a three-helix bundle from experiment and simulation
Jonathan D. Hirst
3:00 PMActivity coefficient comparisons of forcefields: High precision chemical potentials of urea
B. Montgomery Pettitt, Hironori Kokubo
3:40 PMSimulations of peptide inhibitors of Amyloid-beta aggregation
Joan-Emma Shea
4:20 PMFretting about FRET: Correlation between κ and R
Darren B. VanBeek, Matthew C. Zwier, Justin M. Shorb, Brent P. Krueger

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The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007