题 目 Computational enzymology: from mechanistic study to inhibitor design
嘉 宾 Prof. Yingkai Zhang (Department of Chemistry, New York University)
时 间 2013年11月11日 星期一 10:30AM
地 点 E-104
邀请人 Prof. Yundong Wu
Short c.v. of Prof. Yingkai Zhang
Education
Aug. 1995 - May 2000
Ph.D. in Chemistry under the direction of Prof. Weitao Yang, Duke University , Durham, NC.
Sep.1989 - July 1993
B.S. in Chemistry, Nanjing University, Nanjing, P.R. China.
Research Interest
We are interested in developing and applying novel computational and theoretical methods to understand the inner workings of important biological processes. Due to the complexity of biological processes, the computational methods that we develop and utilize are multiscale in nature, ranging from electronic level description of crucial chemical bonds to coarse-grained approaches for large scale motions and interactions. Our specific research interests are:
1）Development of ab initio QM/MM methods
2）Theoretical investigation of metalloenzymes
3）Computational studies of histone post-modifications and recognition
4）Development of multiscale simulation methods
5）Rational redesign of biocatalysts
