Wednesday Morning, October 25
MS27
Molecular Dynamics (Invited Minisymposium)
Molecular dynamics is an exciting field at the crossroads of chemistry,
physics, mathematics, biology, and computer science, and at the interface of
theory and experiment. By simulating molecular motion in space and time
according to Newtonian physics, we link the static view of molecular structure
with the wide range of dynamic flexibility observed in the cell and associated
with biological reactivity. There are challenging mathematical problems in
molecular dynamics. These include long-time integration of chaotic, large-scale
systems with multiple timescales. The speakers in this minisymposium will
discuss some of these issues and describe the state of the art in protein and DNA
simulations.
Organizer: Tamar Schlick
New York University and Howard Hughes Medical Institute
- 8:00 On the Use of Flexible Constraints and Variants of the Longevin-Piston Method for Macromolecular Dynamics
- Bernard Brooks, National Institutes of Health
- 8:30 Molecular Dynamics Applications to Polypeptides and Proteins
- Jan Hermans, University of North Carolina, Chapel Hill
- 9:00 Molecular Dynamics Simulations of DNA in Solution
- David L. Beveridge, Wesleyan University
- 9:30 Dynamics of Elastic Polymers
- Raymond Goldstein, Princeton University
7/27/95