Po Hu

发表

How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? Revisited by Ab initio QM/MM molecular dynamics simulations.

Yingkai Zhang, Po Hu, Shenglong Wang, 2008, Journal of the American Chemical Society.

Unexpected deacetylation mechanism suggested by a density functional theory QM/MM study of histone-deacetylase-like protein.

M. Tuckerman, Yingkai Zhang, Po Hu, 2006, Journal of the American Chemical Society.

Tuning the Membrane Selectivity of Antimicrobial Peptides by Using Multivalent Design

Zhigang Liu, Chunhui Zhou, N. Kallenbach, 2007, Chembiochem : a European journal of chemical biology.

Catalytic mechanism and product specificity of the histone lysine methyltransferase SET7/9: an ab initio QM/MM-FE study with multiple initial structures.

Yingkai Zhang, Po Hu, 2006, Journal of the American Chemical Society.

Side chain specificity of ADP‐ribosylation by a sirtuin

Yingkai Zhang, Po Hu, C. Wolberger, 2009, The FEBS journal.

A water-mediated and substrate-assisted catalytic mechanism for Sulfolobus solfataricus DNA polymerase IV.

Suse Broyde, Yingkai Zhang, S. Broyde, 2007, Journal of the American Chemical Society.

Highly dissociative and concerted mechanism for the nicotinamide cleavage reaction in Sir2Tm enzyme suggested by ab initio QM/MM molecular dynamics simulations.

Yingkai Zhang, Shenglong Wang, Yingkai Zhang, 2008, Journal of the American Chemical Society.

Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: the case of histone lysine methyltransferase SET7/9.

Yingkai Zhang, Shenglong Wang, Yingkai Zhang, 2007, The journal of physical chemistry. B.

Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab initio QM/MM Molecular Dynamics Study.

Ruibo Wu, Zexing Cao, Yingkai Zhang, 2010, Journal of chemical theory and computation.

Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.

Daiqian Xie, Yingkai Zhang, Shenglong Wang, 2009, The journal of physical chemistry. B.

Highly dissociative and concerted mechanism for the nicotinamide cleavage reaction in Sir2Tm enzyme suggested by ab initio QM/MM molecular dynamics simulations.

Yingkai Zhang, Po Hu, Shenglong Wang, 2008, Journal of the American Chemical Society.