2005 Annual Meeting

Session: Developments in Intermolecular Potential Models

Co-Chair

Jeffrey J. Potoff, Wayne State University

Presentations

08:00 AM

(160a) Transferable Potentials Optimized for Mixed Site-Site Interactions
Amanda D. Sans, Neil H. Gray

08:18 AM

(160b) Solvation Study Using Gaussian Charges Particles and GCPM Water Model
Peter J. Dyer, Peter T. Cummings

08:36 AM

(160c) Molecular Modeling of Chemical Warfare Agents
Jeffrey J. Potoff, Maria Coscione, Ganesh Kamath, Lech Czerwinski

08:54 AM

(160d) Development of Polarizable Force Fields for Application to Molecular Dynamics Simulations of Biological Molecules
Sandeep A. Patel, Charles L. Brooks, III

09:12 AM

(160e) Development and Application of the Trappe Force Field
Collin D. Wick, John M. Stubbs, Ling Zhang, Neeraj Rai

09:30 AM

(160f) Force Field Parameter Development for Pyridine, Pyrazine, Pyrimidine, Pyridazine and S-Triazene
David Rigby, Rajiv J. Berry

09:48 AM

(160g) Development of Classical Force Field for the Chemical Bonding between Benzenedithiolate and Gold
Yongsheng Leng, Predrag S. Krstic, Jack C. Wells, Peter T. Cummings, David J. Dean

10:06 AM

(160h) Close Contact Penalty Functions in Direct Space Methods and Energetic Considerations in Structure Refinement
Cikui Liang