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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