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The Journal of Chemical Physics|May 28, 2005
An efficient approach for ab initio energy calculation of biopolymersXihua Chen, Yingkai Zhang, John Z H ZhangThe Journal of Physical Chemistry Letters|April 16, 2013
Sirtuin Deacetylation Mechanism and Catalytic Role of the Dynamic Cofactor Binding LoopYawei Shi, Yanzi Zhou, Shenglong Wang, et al.The Journal of Physical Chemistry. B|December 24, 2009
Born-Oppenheimer ab initio QM/MM molecular dynamics simulations of the hydrolysis reaction catalyzed by protein arginine deiminase 4Zhihong Ke, Shenglong Wang, Daiqian Xie, et al.Journal of Chemical Information and Modeling|October 10, 2018
Computational Strategy for Bound State Structure Prediction in Structure-Based Virtual Screening: A Case Study of Protein Tyrosine Phosphatase Receptor Type O InhibitorsXuben Hou, David Rooklin, Duxiao Yang, et al.Journal of the American Chemical Society|June 30, 2011
Molecular mechanism for eliminylation, a newly discovered post-translational modificationZhihong Ke, Gregory K Smith, Yingkai Zhang, et al.Journal of the American Chemical Society|April 6, 2006
Unexpected deacetylation mechanism suggested by a density functional theory QM/MM study of histone-deacetylase-like proteinClémence Corminboeuf, Po Hu, Mark E Tuckerman, et al.Biochemistry|August 14, 2015
Recognition of Damaged DNA for Nucleotide Excision Repair: A Correlated Motion Mechanism with a Mismatched cis-syn Thymine Dimer LesionHong Mu, Nicholas E Geacintov, Yingkai Zhang, et al.Journal of the American Chemical Society|August 21, 2003
Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomeraseG Andrés Cisneros, Haiyan Liu, Yingkai Zhang, et al.Chemical Research in Toxicology|October 5, 2018
Lesion Sensing during Initial Binding by Yeast XPC/Rad4: Toward Predicting Resistance to Nucleotide Excision RepairHong Mu, Yingkai Zhang, Nicholas E Geacintov, et al.Structure (London, England : 1993)|June 19, 2012
An internal water-retention site in the rhomboid intramembrane protease GlpG ensures catalytic efficiencyYanzi Zhou, Syed M Moin, Sinisa Urban, et al.Pageof 769