Professor of Chemistry
Department of Chemistry, NYU
Yingkai Zhang received his B.S. degree in Chemistry from Nanjing University in 1993 and his Ph.D. degree in Chemistry from Duke University in 2000. His postdoctoral research was conducted at Howard Hughes Medical Institute, University of California at San Diego from 2000 to 20003. He was a recipient of the National Science Foundation CAREER Award (2005), the NYSTAR James D. Watson Young Investigator Award (2005), and Whitehead Fellowship for Junior Faculty in Biomedical and Biological Sciences (2006).
Professor Zhang and his research group are interested in developing and applying novel computational methods to elucidate novel physical-chemical insights into important biological processes, and to rational design their modulators for probing important cellular pathways and for therapeutic use.
- D. W. Rooklin, C. Wang, J. Katigbak, P. S. Arora, and Y. Zhang, J. Chem. Inf. Model. , 55 , 1585 - 1599 (2015). AlphaSpace: Fragment-Centric Topographical Mapping to Target Protein-Protein Interaction Interfaces
- W. Gong, R. Wu, and Y. Zhang, J. Comput. Chem. , 36 , 2228 - 2235 (2015). Thiol versus Hydroxamate as Zinc Binding Group in HDAC Inhibition: An ab initio QM/MM Molecular Dynamics Study
- H. Mu, N. E. Geacintov, Y. Zhang, and S. Broyde, Biochemistry , 54 , 5263 - 5267 (2015). Recognition of Damaged DNA for Nucleotide Excision Repair: A Correlated Motion Mechanism with a Mismatched cis-syn Thymine Dimer Lesion
- J. Lei, Y. Zhou, D. Xie and Y. Zhang, J. Am. Chem. Soc. , 137, 70-73 (2015). Mechanistic Insights into a Classic Wonder Drug - Aspirin
- J. Zhou, M. Li, N. Chen, S. Wang, H. B. Luo,Y. Zhang, and R. Wu, ACS Chem. Biol. , 10 , 687-692 (2015). Computational Design of a Time-Dependent Histone Deacetylase 2 Selective Inhibitor
- X. Xiao, N. Kallenbach and Y. Zhang, J. Chem. Theory Comput., 10, 4152-4159 (2014).Peptide Conformation Analysis using an Integrated Bayesian Approach
- N. Zhou, Z. Lu, Q. Wu and Y. Zhang, J. Chem. Phys., 140, 214117 (2014). Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis
- G. S. Sirin, Y. Zhang , J. Phys. Chem. A, 118,9132-9139 (2014) How is Acetylcholinesterase Phosphonylated by Soman? An ab initio QM/MM Molecular Dynamics Study