Zhang Y - Search Results

1

Ab initio QM/MM free-energy studies of arginine deiminase catalysis: the protonation state of the Cys nucleophile.

Ke Z, Guo H, Xie D, Wang S, Zhang Y. Ke Z, et al. Among authors: zhang y. J Phys Chem B. 2011 Apr 7;115(13):3725-33. doi: 10.1021/jp200843s. Epub 2011 Mar 11. J Phys Chem B. 2011. PMID: 21395290 Free PMC article.

2

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

3

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

4

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

Wang S, Hu P, Zhang Y. Wang S, et al. Among authors: zhang y. J Phys Chem B. 2007 Apr 12;111(14):3758-64. doi: 10.1021/jp067147i. Epub 2007 Mar 22. J Phys Chem B. 2007. PMID: 17388541 Free PMC article.

5

Catalytic mechanism and metal specificity of bacterial peptide deformylase: a density functional theory QM/MM study.

Xiao C, Zhang Y. Xiao C, et al. Among authors: zhang y. J Phys Chem B. 2007 Jun 7;111(22):6229-35. doi: 10.1021/jp068657f. Epub 2007 May 16. J Phys Chem B. 2007. PMID: 17503802

6

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

Hu P, Wang S, Zhang Y. Hu P, et al. Among authors: zhang y. J Am Chem Soc. 2008 Mar 26;130(12):3806-13. doi: 10.1021/ja075896n. Epub 2008 Mar 1. J Am Chem Soc. 2008. PMID: 18311969 Free PMC article.

7

Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulations.

Zheng H, Zhang Y. Zheng H, et al. Among authors: zhang y. J Chem Phys. 2008 May 28;128(20):204106. doi: 10.1063/1.2920476. J Chem Phys. 2008. PMID: 18513009 Free PMC article.

8

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

Hu P, Wang S, Zhang Y. Hu P, et al. Among authors: zhang y. J Am Chem Soc. 2008 Dec 10;130(49):16721-8. doi: 10.1021/ja807269j. J Am Chem Soc. 2008. PMID: 19049465 Free PMC article.

9

Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.

Zheng H, Wang S, Zhang Y. Zheng H, et al. Among authors: zhang y. J Comput Chem. 2009 Dec;30(16):2706-11. doi: 10.1002/jcc.21296. J Comput Chem. 2009. PMID: 19399770 Free PMC article.

10

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

Ke Z, Zhou Y, Hu P, Wang S, Xie D, Zhang Y. Ke Z, et al. Among authors: zhang y. J Phys Chem B. 2009 Sep 24;113(38):12750-8. doi: 10.1021/jp903173c. J Phys Chem B. 2009. PMID: 19507815 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

262,813 results

Search Page

Filters