Title: Molecular Modeling Approaches for Very Large Biological Systems

Speaker: Steve Harvey, Professor and Georgia Research Alliance Eminent Scholar School of Biology Georgia Institute of Technology

Date/Time: Monday, May 11, 2009 at 9:00 – 10:00am MDST

Location: CSRI/90 (Sandia NM)

Brief Abstract: Ever since Watson and Crick proposed a model for double- helical DNA, all-atom models have been used to infer structure- function relationships in proteins, nucleic acids, and other biological molecules. All-atom molecular mechanics methods have been applied to a wide variety of problems, including drug design, the prediction of protein structure, and the design of novel biological catalysts. Unfortunately, all-atom approaches are computationally prohibitive for very large macromolecular assemblies, such as viruses, chromosomes and biological membranes. This talk will describe coarse- grain and multiscale methods for treating large complexes containing proteins and nucleic acids, with emphasis on self-assembly processes in viruses.

Background: Prof Harvey is a structural biologist, focused on the relationship of macromolecular structure and dynamics to biological function. His recent interests include understanding the mechanisms for DNA packaging inside viral capsids and RNA assembly in nodaviruses, which may guide drug design. He is a fellow of the AAAS and a past president of the Biophysical Society.

CSRI POC: Steve Plimpton, (505) 845-7873