Abstract: In this talk, I will survey our recent work in developing novel coarse-grained structural modeling and transition pathway modeling methods based on extending the elastic network model, and all-atom simulations of motor proteins like myosin and kinesin. The multi-scale application of coarse-grained and all-atom simulations promises to probe the molecular mechanism of protein functions with high resolution and efficiency.

 

Research Interests: Dr. Zheng’s long-term goal is to investigate biomolecular functions through the multi-scale modeling of biomolecular dynamics at a wide range of length scales from whole molecules down to individual atoms. He will employ various structural models of biomolecules from coarse-grained to atomistic models. These complementary models will be welded coherently to achieve both efficiency and accuracy. He is interested in integrating computer modeling with experiments via collaborations so that his models are correctly parameterized by fitting experimental data, and then make informative predictions to guide future experiments. His ultimate goal is to computationally elucidate the molecular functions of various biomolecular "nanomachines" such as motor proteins (myosins, kinesins, polymerases and helicases).

  

Date&Time: June 26, 2013 (Wednesday),10:30 - 11:30a.m.
Location: 610 Conference Room