Jianzhuang Yao

发表

QM/MM free energy simulations of the reaction catalysed by (4S)-limonene synthase involving linalyl diphosphate (LPP) substrate

Feng Chen, Hong Guo, Jianzhuang Yao, 2018 .

Molecular and biochemical characterization of the jasmonic acid methyltransferase gene from black cottonwood (Populus trichocarpa).

T. Tschaplinski, Guanglin Li, Feng Chen, 2013, Phytochemistry.

The catalytic mechanism of S-acyltransferases: acylation is triggered on by a loose transition state and deacylation is turned off by a tight transition state.

Qiang Li, Jianzhuang Yao, E. Li, 2019, Physical chemistry chemical physics : PCCP.

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, 2017, Chemistry.

Improvement of the self-consistent-charge density-functional-tight-binding theory by a modified Mulliken charge

Jianzhuang Yao, Xia Wang, 2017, Theoretical Chemistry Accounts.

Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of “hunger hormone” ghrelin

C. Zhan, F. Zheng, Yaxia Yuan, 2016, Scientific Reports.

Ellman’s method-based determination of acibenzolar-S-methyl in tobacco by transesterification with methanol and SABP2-catalyzed hydrolysis

Qiang Li, Wenyu Sun, Jianzhuang Yao, 2022, Analytical Sciences.

QM/MM free energy Simulations of an efficient Gluten Hydrolase (Kuma030) Implicate for a Reactant-State Based Protein-Design Strategy for General Acid/Base Catalysis

Qiang Li, Jianzhuang Yao, Xia Wang, 2018, Scientific Reports.

Stability and sugar recognition ability of ricin-like carbohydrate binding domains.

Ricky B. Nellas, T. Shen, Mary M. Glover, 2011, Biochemistry.

Understanding the autocatalytic process of pro-kumamolisin activation from molecular dynamics and quantum mechanical/molecular mechanical (QM/MM) free-energy simulations.

Alexander Wlodawer, Jianzhuang Yao, A. Wlodawer, 2013, Chemistry.

QM/MM and free-energy simulations of deacylation reaction catalysed by sedolisin, a serine-carboxyl peptidase

Jianzhuang Yao, Hong Guo, Qin Xu, 2013 .

Role of Histidine 547 of Human Dopamine Transporter in Molecular Interaction with HIV-1 Tat and Dopamine Uptake

C. Zhan, Yaxia Yuan, Jianzhuang Yao, 2016, Scientific Reports.

Circular exponential amplification of photoinduced electron transfer using hairpin probes, G-quadruplex DNAzyme and silver nanocluster-labeled DNA for ultrasensitive fluorometric determination of pathogenic bacteria

Jiadong Huang, Yu Wang, Su Liu, 2018, Microchimica Acta.

Kinetic characterization of cholinesterases and a therapeutically valuable cocaine hydrolase for their catalytic activities against heroin and its metabolite 6-monoacetylmorphine.

Zhenyu Jin, C. Zhan, F. Zheng, 2018, Chemico-biological interactions.

Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase

Qiang Li, Jianzhuang Yao, Junsen Tong, 2021, Angewandte Chemie.

Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.

Qiang Li, Jianzhuang Yao, Junsen Tong, 2021, Angewandte Chemie.

QM/MM MD and Free Energy Simulations of G9a-Like Protein (GLP) and Its Mutants: Understanding the Factors that Determine the Product Specificity

Hong Guo, Jianzhuang Yao, Yuzhuo Chu, 2012, PloS one.

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

Hong Guo, Jianzhuang Yao, Ran An, 2012, J. Chem. Inf. Model..

One- and Two- Proton Transfer Mechanisms Coexist in One Active Site.

Yueqi Zhao, Cheng-Shi Jiang, Jing Ren, 2020, The journal of physical chemistry. B.

Substrate-Assisted Catalysis in the Reaction Catalyzed by Salicylic Acid Binding Protein 2 (SABP2), a Potential Mechanism of Substrate Discrimination for Some Promiscuous Enzymes.

Jianzhuang Yao, Xiaohan Yang, Feng Chen, 2015, Biochemistry.

Potential anti-obesity effects of a long-acting cocaine hydrolase.

C. Zhan, F. Zheng, Xirong Zheng, 2016, Chemico-biological interactions.

Catalytic Reaction Mechanism for Drug Metabolism in Human Carboxylesterase-1: Cocaine Hydrolysis Pathway.

C. Zhan, F. Zheng, Jianzhuang Yao, 2018, Molecular pharmaceutics.

Cloning, expression and biochemical characterization of a GH1 β-glucosidase from Cellulosimicrobium cellulans

Yifa Zhou, Fenghua Xu, Ye Yuan, 2018 .

QM/MM free energy Simulations of an efficient Gluten Hydrolase (Kuma030) Implicate for a Reactant-State Based Protein-Design Strategy for General Acid/Base Catalysis

Qiang Li, Jianzhuang Yao, Xia Wang, 2018, Scientific Reports.

QM/MM free energy simulations of salicylic acid methyltransferase: effects of stabilization of TS-like structures on substrate specificity.

Feng Chen, Hong Guo, Jianzhuang Yao, 2011, The journal of physical chemistry. B.

PPCM: Combing Multiple Classifiers to Improve Protein-Protein Interaction Prediction

Hong Guo, Jianzhuang Yao, Xiaohan Yang, 2015, International journal of genomics.