2005 Annual Meeting

Session: Developments in Intermolecular Potential Models

Co-Chair

Potoff, J. J., Wayne State University

Presentations

08:00 AM

(160a) Transferable Potentials Optimized for Mixed Site-Site Interactions

Sans, A. D., Gray, N. H.

08:18 AM

(160b) Solvation Study Using Gaussian Charges Particles and GCPM Water Model

Dyer, P. J., Cummings, P. T.

08:36 AM

(160c) Molecular Modeling of Chemical Warfare Agents

Potoff, J. J., Coscione, M., Kamath, G., Czerwinski, L.

08:54 AM

(160d) Development of Polarizable Force Fields for Application to Molecular Dynamics Simulations of Biological Molecules

Patel, S. A., Brooks, III, C. L.

09:12 AM

(160e) Development and Application of the Trappe Force Field

Wick, C. D., Stubbs, J. M., Zhang, L., Rai, N.

09:30 AM

(160f) Force Field Parameter Development for Pyridine, Pyrazine, Pyrimidine, Pyridazine and S-Triazene

Rigby, D., Berry, R. J.

09:48 AM

(160g) Development of Classical Force Field for the Chemical Bonding between Benzenedithiolate and Gold

Leng, Y., Krstic, P. S., Wells, J. C., Cummings, P. T., Dean, D. J.

10:06 AM

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