WFU Physics Colloquium

Title: Applying molecular dynamics simulations to problems in biophysics"

Speaker:

Professor Jan Hermans
Department of Biochemistry and Biophysics,
University of North Carolina at Chapel Hill

Time:

4 PM, Thursday, Mar. 5, 1998

Place:

Room 101, Olin Physical Laboratory

All interested persons are cordially invited. Refreshments will be served at 3:30 PM in the lounge.

Abstract:

Overview of molecular simulation methods used in studies of conformation, conformational stability and function of biological macromolecules.

Accurate simulations with classical mechanics and an empirical force field, and recent technical advances.

Application to studies of how proteins interact with small molecules: water and small non-polar molecules binding inside proteins - thermodynamics of binding and energetics of forced ligand extraction.

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