A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert’s Variational Perturbation Theory

per Wong, Kin-Yiu, Gao, Jiali
Publicat 2008

Insight into the Phosphodiesterase Mechanism from Combined QM/MM Free Energy Simulations

per Wong, Kin-Yiu, Gao, Jiali
Publicat 2011

An automated integration-free path-integral method based on Kleinert’s variational perturbation theory

per Wong, Kin-Yiu, Gao, Jiali
Publicat 2007

Exact Relation between Potential of Mean Force and Free-Energy Profile

per Wong, Kin-Yiu, York, Darrin M.
Publicat 2012

Combined QM/MM and Path Integral Simulations of Kinetic Isotope Effects in the Proton Transfer Reaction Between Nitroethane and Acetate Ion in Water

per GAO, JIALI, WONG, KIN-YIU, MAJOR, DAN T.
Publicat 2008

Theoretical Analysis of Kinetic Isotope Effects on Proton Transfer Reactions between Substituted α-Methoxystyrenes and Substituted Acetic Acids

per Wong, Kin Yiu, Richard, John P., Gao, Jiali
Publicat 2009

Ab Initio Path-Integral Calculations of Kinetic and Equilibrium Isotope Effects on Base-Catalyzed RNA Transphosphorylation Models

per Wong, Kin-Yiu, Yuqing, Xu, York, Darrin M.
Publicat 2014

Active participation of Mg(2+) ion in the reaction coordinate of RNA self-cleavage catalyzed by the hammerhead ribozyme

per Wong, Kin-Yiu, Lee, Tai-Sung, York, Darrin M.
Publicat 2011

Determination of the Structure Form of the Fourth Ligand of Zinc in Acutolysin A Using Combined Quantum Mechanical and Molecular Mechanical Simulation

per Wu, Emilia L., Wong, Kin-Yiu, Zhang, Xin, Han, Keli, Gao, Jiali
Publicat 2009

Bridging the Gap Between Theory and Experiment to Derive a Detailed Understanding of Hammerhead Ribozyme Catalysis

per Lee, Tai-Sung, Wong, Kin-Yiu, Giambasu, George M., York, Darrin M.
Publicat a Prog Mol Biol Transl Sci (2013)

Roadmaps through free energy landscapes calculated using the multi-dimensional vFEP approach

per Lee, Tai-Sung, Radak, Brian K., Huang, Ming, Wong, Kin-Yiu, York, Darrin M.
Publicat 2014

Characterization of the Reaction Path and Transition States for RNA Transphosphorylation Models from Theory and Experiment

per Wong, Kin-Yiu, Gu, Hong, Zhang, Shuming, Piccirilli, Joseph A., Harris, Michael E., York, Darrin M.
Publicat 2011

Mechanistic Insights into RNA Transphosphorylation from Kinetic Isotope Effects and Linear Free Energy Relationships of Model Reactions

per Chen, Haoyuan, Giese, Timothy J., Huang, Ming, Wong, Kin-Yiu, Harris, Michael E., York, Darrin M.
Publicat a Chemistry (2014)

Experimental and computational analysis of the transition state for ribonuclease A-catalyzed RNA 2′-O-transphosphorylation

per Gu, Hong, Zhang, Shuming, Wong, Kin-Yiu, Radak, Brian K., Dissanayake, Thakshila, Kellerman, Daniel L., Dai, Qing, Miyagi, Masaru, Anderson, Vernon E., York, Darrin M., Piccirilli, Joseph A., Harris, Michael E.
Publicat 2013