Event Information

Jianpeng Ma (Baylor College of Medicine and Rice University, Department of Bioengineering)
Simulating, Refining and Modeling Supramolecular Complexes at Multi-resolution and Multi-length Scales
Abstract:

In protein structure modeling, two major issues are effective potential function and powerful sampling technique. In this talk, recent results in both directions will be discussed. In terms of potential function, we have developed an orientation-dependent statistical all-atom potential derived from side-chain packing. Test of the new potential on decoy set recognition indicates that it outperforms all the known statistical potential functions in the literature. Applications of this potential in substantially improving side-chain modeling will also be discussed. In terms of sampling technique, I will discuss some new results of a novel Monte Carlo sampling technique that performs simulation via direct computation of partition functions. Finally, results on using low-frequency normal modes for refining X-ray crystallographic temperature factors will also be discussed.

Host: Weitao Yang

Tuesday, March 18, 2008, 11:40am
Departmental Seminar