Circular exponential amplification of photoinduced electron transfer using hairpin probes, G-quadruplex DNAzyme and silver nanocluster-labeled DNA for ultrasensitive … X Leng, Y Wang, R Li, S Liu, J Yao, Q Pei, X Cui, Y Tu, D Tang, J Huang Microchimica Acta 185, 1-8, 2018 | 32 | 2018 |
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 … J Yao, Y Chu, R An, H Guo Journal of chemical information and modeling 52 (2), 449-456, 2012 | 29 | 2012 |
Molecular and biochemical characterization of the jasmonic acid methyltransferase gene from black cottonwood (Populus trichocarpa) N Zhao, J Yao, M Chaiprasongsuk, G Li, J Guan, TJ Tschaplinski, H Guo, ... Phytochemistry 94, 74-81, 2013 | 25 | 2013 |
Substrate-assisted catalysis in the reaction catalyzed by salicylic acid binding protein 2 (SABP2), a potential mechanism of substrate discrimination for some promiscuous enzymes J Yao, H Guo, M Chaiprasongsuk, N Zhao, F Chen, X Yang, H Guo Biochemistry 54 (34), 5366-5375, 2015 | 23 | 2015 |
QM/MM MD and free energy simulations of G9a-like protein (GLP) and its mutants: understanding the factors that determine the product specificity Y Chu, J Yao, H Guo PLoS One 7 (5), e37674, 2012 | 22 | 2012 |
Catalytic reaction mechanism for drug metabolism in human carboxylesterase-1: Cocaine hydrolysis pathway J Yao, X Chen, F Zheng, CG Zhan Molecular pharmaceutics 15 (9), 3871-3880, 2018 | 20 | 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 X Wang, R Li, W Cui, Q Li, J Yao Scientific Reports 8 (1), 7042, 2018 | 19 | 2018 |
Stability and sugar recognition ability of ricin-like carbohydrate binding domains J Yao, RB Nellas, MM Glover, T Shen Biochemistry 50 (19), 4097-4104, 2011 | 19 | 2011 |
Role of histidine 547 of human dopamine transporter in molecular interaction with HIV-1 Tat and dopamine uptake Y Yuan, PM Quizon, WL Sun, J Yao, J Zhu, CG Zhan Scientific reports 6 (1), 27314, 2016 | 16 | 2016 |
Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of “hunger hormone” ghrelin J Yao, Y Yuan, F Zheng, CG Zhan Scientific reports 6 (1), 22322, 2016 | 14 | 2016 |
QM/MM free energy simulations of salicylic acid methyltransferase: effects of stabilization of TS-like structures on substrate specificity J Yao, Q Xu, F Chen, H Guo The Journal of Physical Chemistry B 115 (2), 389-396, 2011 | 14 | 2011 |
Understanding the Catalytic Mechanism and the Nature of the Transition State of an Attractive Drug‐Target Enzyme (Shikimate Kinase) by Quantum Mechanical/Molecular Mechanical … J Yao, X Wang, H Luo, P Gu Chemistry–A European Journal 23 (64), 16380-16387, 2017 | 13 | 2017 |
Clarification of the Mechanism of Acylation Reaction and Origin of Substrate Specificity of the Serine-Carboxyl Peptidase Sedolisin through QM/MM Free Energy Simulations Q Xu, J Yao, A Wlodawer, H Guo The journal of physical chemistry. B 115 (10), 2470, 2011 | 13 | 2011 |
Kinetic characterization of cholinesterases and a therapeutically valuable cocaine hydrolase for their catalytic activities against heroin and its metabolite 6-monoacetylmorphine K Kim, J Yao, Z Jin, F Zheng, CG Zhan Chemico-biological interactions 293, 107-114, 2018 | 12 | 2018 |
QM/MM free energy simulations of the reaction catalysed by (4S)-limonene synthase involving linalyl diphosphate (LPP) substrate J Yao, F Chen, H Guo Molecular Simulation 44 (13-14), 1158-1167, 2018 | 11 | 2018 |
Cloning, expression and biochemical characterization of a GH1 β-glucosidase from Cellulosimicrobium cellulans Y Yuan, F Xu, J Yao, Y Hu, J Wang, T Zhao, Y Zhou, J Gao Biocatalysis and Biotransformation 36 (5), 362-371, 2018 | 11 | 2018 |
Improvement of the self-consistent-charge density-functional-tight-binding theory by a modified Mulliken charge X Wang, J Yao Theoretical Chemistry Accounts 136 (10), 124, 2017 | 11 | 2017 |
Understanding the Catalytic Mechanism and the Substrate Specificity of an Engineered Gluten Hydrolase by QM/MM Molecular Dynamics and Free Energy Simulations J Yao, H Luo, X Wang Journal of Chemical Information and Modeling 57 (5), 1179-1186, 2017 | 8 | 2017 |
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 X Wang, GMB Kissanga, E Li, Q Li, J Yao Physical Chemistry Chemical Physics 21 (23), 12163-12172, 2019 | 7 | 2019 |
Potential anti-obesity effects of a long-acting cocaine hydrolase X Zheng, J Deng, T Zhang, J Yao, F Zheng, CG Zhan Chemico-biological interactions 259, 99-103, 2016 | 7 | 2016 |