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Po Hu, Ph.D. - Publications

Affiliations: 
Chemistry New York University, New York, NY, United States 
Area:
Enzyme simulations
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10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2009 Wu R, Hu P, Wang S, Cao Z, Zhang Y. Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab initio QM/MM Molecular Dynamics Study. Journal of Chemical Theory and Computation. 6: 337. PMID 20161624 DOI: 10.1021/Ct9005322  0.58
2009 Fahie K, Hu P, Swatkoski S, Cotter RJ, Zhang Y, Wolberger C. Side chain specificity of ADP-ribosylation by a sirtuin. The Febs Journal. 276: 7159-76. PMID 19895577 DOI: 10.1111/J.1742-4658.2009.07427.X  0.623
2009 Ke Z, Zhou Y, Hu P, Wang S, Xie D, Zhang Y. Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations. The Journal of Physical Chemistry. B. 113: 12750-8. PMID 19507815 DOI: 10.1021/Jp903173C  0.631
2008 Hu P, Wang S, Zhang Y. Highly dissociative and concerted mechanism for the nicotinamide cleavage reaction in Sir2Tm enzyme suggested by ab initio QM/MM molecular dynamics simulations. Journal of the American Chemical Society. 130: 16721-8. PMID 19049465 DOI: 10.1021/Ja807269J  0.638
2008 Hu P, Wang S, Zhang Y. How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? Revisited by Ab initio QM/MM molecular dynamics simulations. Journal of the American Chemical Society. 130: 3806-13. PMID 18311969 DOI: 10.1021/Ja075896N  0.599
2007 Liu Z, Young AW, Hu P, Rice AJ, Zhou C, Zhang Y, Kallenbach NR. Tuning the membrane selectivity of antimicrobial peptides by using multivalent design. Chembiochem : a European Journal of Chemical Biology. 8: 2063-5. PMID 17924379 DOI: 10.1002/Cbic.200700502  0.436
2007 Wang S, Hu P, Zhang Y. Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: the case of histone lysine methyltransferase SET7/9. The Journal of Physical Chemistry. B. 111: 3758-64. PMID 17388541 DOI: 10.1021/Jp067147I  0.63
2007 Wang L, Yu X, Hu P, Broyde S, Zhang Y. A water-mediated and substrate-assisted catalytic mechanism for Sulfolobus solfataricus DNA polymerase IV. Journal of the American Chemical Society. 129: 4731-7. PMID 17375926 DOI: 10.1021/Ja068821C  0.588
2006 Corminboeuf C, Hu P, Tuckerman ME, Zhang Y. Unexpected deacetylation mechanism suggested by a density functional theory QM/MM study of histone-deacetylase-like protein Journal of the American Chemical Society. 128: 4530-4531. PMID 16594663 DOI: 10.1021/Ja0600882  0.596
2006 Hu P, Zhang Y. Catalytic mechanism and product specificity of the histone lysine methyltransferase SET7/9: an ab initio QM/MM-FE study with multiple initial structures. Journal of the American Chemical Society. 128: 1272-8. PMID 16433545 DOI: 10.1021/Ja056153+  0.623
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