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Chemistry (Weinheim an Der Bergstrasse, Germany)
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July 4, 2013
Understanding the autocatalytic process of pro-kumamolisin activation from molecular dynamics and quantum mechanical/molecular mechanical (QM/MM) free-energy simulations
Jianzhuang Yao, Alexander Wlodawer, Hong Guo
International Journal of Genomics
|
November 6, 2015
PPCM: Combing Multiple Classifiers to Improve Protein-Protein Interaction Prediction
Jianzhuang Yao, Hong Guo, Xiaohan Yang
Plos One
|
May 25, 2012
QM/MM MD and free energy simulations of G9a-like protein (GLP) and its mutants: understanding the factors that determine the product specificity
Yuzhuo Chu, Jianzhuang Yao, Hong Guo
Journal of Chemical Information and Modeling
|
May 3, 2017
Understanding the Catalytic Mechanism and the Substrate Specificity of an Engineered Gluten Hydrolase by QM/MM Molecular Dynamics and Free Energy Simulations
Jianzhuang Yao, Haixia Luo, Xia Wang
The Journal of Physical Chemistry. B
|
February 22, 2011
Clarification of the mechanism of acylation reaction and origin of substrate specificity of the serine-carboxyl peptidase sedolisin through QM/MM free energy simulations
Qin Xu, Jianzhuang Yao, Alexander Wlodawer, et al.
The Journal of Physical Chemistry. B
|
December 21, 2010
QM/MM free energy simulations of salicylic acid methyltransferase: effects of stabilization of TS-like structures on substrate specificity
Jianzhuang Yao, Qin Xu, Feng Chen, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 20, 2017
Understanding the Catalytic Mechanism and the Nature of the Transition State of an Attractive Drug-Target Enzyme (Shikimate Kinase) by Quantum Mechanical/Molecular Mechanical (QM/MM) Studies
Jianzhuang Yao, Xia Wang, Haixia Luo, et al.
Journal of Chemical Information and Modeling
|
January 17, 2012
Understanding product specificity of protein lysine methyltransferases from QM/MM molecular dynamics and free energy simulations: the effects of mutation on SET7/9 beyond the Tyr/Phe switch
Jianzhuang Yao, Yuzhuo Chu, Ran An, et al.
Scientific Reports
|
March 1, 2016
Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of "hunger hormone" ghrelin
Jianzhuang Yao, Yaxia Yuan, Fang Zheng, et al.
Molecular Pharmaceutics
|
August 11, 2018
Catalytic Reaction Mechanism for Drug Metabolism in Human Carboxylesterase-1: Cocaine Hydrolysis Pathway
Jianzhuang Yao, Xiabin Chen, Fang Zheng, et al.
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Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 4, 2013
Understanding the autocatalytic process of pro-kumamolisin activation from molecular dynamics and quantum mechanical/molecular mechanical (QM/MM) free-energy simulations
Jianzhuang Yao, Alexander Wlodawer, Hong Guo
International Journal of Genomics
|
November 6, 2015
PPCM: Combing Multiple Classifiers to Improve Protein-Protein Interaction Prediction
Jianzhuang Yao, Hong Guo, Xiaohan Yang
Plos One
|
May 25, 2012
QM/MM MD and free energy simulations of G9a-like protein (GLP) and its mutants: understanding the factors that determine the product specificity
Yuzhuo Chu, Jianzhuang Yao, Hong Guo
Journal of Chemical Information and Modeling
|
May 3, 2017
Understanding the Catalytic Mechanism and the Substrate Specificity of an Engineered Gluten Hydrolase by QM/MM Molecular Dynamics and Free Energy Simulations
Jianzhuang Yao, Haixia Luo, Xia Wang
The Journal of Physical Chemistry. B
|
February 22, 2011
Clarification of the mechanism of acylation reaction and origin of substrate specificity of the serine-carboxyl peptidase sedolisin through QM/MM free energy simulations
Qin Xu, Jianzhuang Yao, Alexander Wlodawer, et al.
The Journal of Physical Chemistry. B
|
December 21, 2010
QM/MM free energy simulations of salicylic acid methyltransferase: effects of stabilization of TS-like structures on substrate specificity
Jianzhuang Yao, Qin Xu, Feng Chen, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 20, 2017
Understanding the Catalytic Mechanism and the Nature of the Transition State of an Attractive Drug-Target Enzyme (Shikimate Kinase) by Quantum Mechanical/Molecular Mechanical (QM/MM) Studies
Jianzhuang Yao, Xia Wang, Haixia Luo, et al.
Journal of Chemical Information and Modeling
|
January 17, 2012
Understanding product specificity of protein lysine methyltransferases from QM/MM molecular dynamics and free energy simulations: the effects of mutation on SET7/9 beyond the Tyr/Phe switch
Jianzhuang Yao, Yuzhuo Chu, Ran An, et al.
Scientific Reports
|
March 1, 2016
Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of "hunger hormone" ghrelin
Jianzhuang Yao, Yaxia Yuan, Fang Zheng, et al.
Molecular Pharmaceutics
|
August 11, 2018
Catalytic Reaction Mechanism for Drug Metabolism in Human Carboxylesterase-1: Cocaine Hydrolysis Pathway
Jianzhuang Yao, Xiabin Chen, Fang Zheng, et al.
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