Zhang Y - Search Results

1

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

Hu P, Zhang Y. Hu P, et al. Among authors: zhang y. J Am Chem Soc. 2006 Feb 1;128(4):1272-8. doi: 10.1021/ja056153+. J Am Chem Soc. 2006. PMID: 16433545

2

Studying enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach.

Kua J, Zhang Y, McCammon JA. Kua J, et al. Among authors: zhang y. J Am Chem Soc. 2002 Jul 17;124(28):8260-7. doi: 10.1021/ja020429l. J Am Chem Soc. 2002. PMID: 12105904

3

Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: an ab initio QM/MM study.

Zhang Y, Kua J, McCammon JA. Zhang Y, et al. J Am Chem Soc. 2002 Sep 4;124(35):10572-7. doi: 10.1021/ja020243m. J Am Chem Soc. 2002. PMID: 12197759

4

Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase.

Cisneros GA, Liu H, Zhang Y, Yang W. Cisneros GA, et al. Among authors: zhang y. J Am Chem Soc. 2003 Aug 27;125(34):10384-93. doi: 10.1021/ja029672a. J Am Chem Soc. 2003. PMID: 12926963

5

Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methods.

Zhang Y. Zhang Y. J Chem Phys. 2005 Jan 8;122(2):024114. doi: 10.1063/1.1834899. J Chem Phys. 2005. PMID: 15638579

It replaces the boundary atom of the environment part with a seven-valence-electron atom to form a pseudobond with the boundary atom of the active part [Y. Zhang, T. S. Lee, and W. Yang, J. Chem. Phys. 110, 46 (1999)]. In its original formulation, the seven-valence- …

It replaces the boundary atom of the environment part with a seven-valence-electron atom to form a pseudobond with the boundary atom of the …

6

How does the cAMP-dependent protein kinase catalyze the phosphorylation reaction: an ab initio QM/MM study.

Cheng Y, Zhang Y, McCammon JA. Cheng Y, et al. Among authors: zhang y. J Am Chem Soc. 2005 Feb 9;127(5):1553-62. doi: 10.1021/ja0464084. J Am Chem Soc. 2005. PMID: 15686389

7

An efficient approach for ab initio energy calculation of biopolymers.

Chen X, Zhang Y, Zhang JZ. Chen X, et al. Among authors: zhang jz, zhang y. J Chem Phys. 2005 May 8;122(18):184105. doi: 10.1063/1.1897382. J Chem Phys. 2005. PMID: 15918692

8

How does activation loop phosphorylation modulate catalytic activity in the cAMP-dependent protein kinase: a theoretical study.

Cheng Y, Zhang Y, McCammon JA. Cheng Y, et al. Among authors: zhang y. Protein Sci. 2006 Apr;15(4):672-83. doi: 10.1110/ps.051852306. Epub 2006 Mar 7. Protein Sci. 2006. PMID: 16522793 Free PMC article.

9

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

Corminboeuf C, Hu P, Tuckerman ME, Zhang Y. Corminboeuf C, et al. Among authors: zhang y. J Am Chem Soc. 2006 Apr 12;128(14):4530-1. doi: 10.1021/ja0600882. J Am Chem Soc. 2006. PMID: 16594663

10

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

Wang L, Yu X, Hu P, Broyde S, Zhang Y. Wang L, et al. Among authors: zhang y. J Am Chem Soc. 2007 Apr 18;129(15):4731-7. doi: 10.1021/ja068821c. Epub 2007 Mar 22. J Am Chem Soc. 2007. PMID: 17375926 Free PMC article.

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