Michigan Technological University
Department of Physics

is pleased to announce a colloquium

with

Adrian E. Roitberg

Quantum Theory Project and Department of Chemistry
University of Florida
Email: adrian@qtp.ufl.edu

Folding a Mini-Protein Using Molecular Dynamics

I will show results from a number of different molecular dynamics simulations that
are able to fold a protein, from randomized initial states, into conformations
within 1 Angstrom of the experimental structures. This was accomplished before the
experimental structure was publicly available, so it is a case of PREdiction.

A comparison of the dynamics between different solvation models will be presented.
Together, these simulations present a picture of the full folding pathway.

Thursday, December 11, 2003

4:00 p.m., Fisher 139

Refreshments will be served

MTU | Physics | Colloquium