Kin-Yiu Wong
The reaction mechanism of paraoxon hydrolysis by phosphotriesterase from combined QM/MM simulations
KY Wong, J Gao
Biochemistry 46 (46), 13352-13369, 2007
Experimental and computational analysis of the transition state for ribonuclease A-catalyzed RNA 2′-O-transphosphorylation
H Gu, S Zhang, KY Wong, BK Radak, T Dissanayake, DL Kellerman, ...
Proceedings of the National Academy of Sciences 110 (32), 13002-13007, 2013
Roadmaps through Free Energy Landscapes Calculated Using the Multidimensional vFEP Approach
TS Lee, BK Radak, M Huang, KY Wong, DM York
Journal of Chemical Theory and Computation 10 (1), 24-34, 2014
Characterization of the reaction path and transition states for RNA transphosphorylation models from theory and experiment
KY Wong, H Gu, S Zhang, JA Piccirilli, ME Harris, DM York
Angewandte Chemie International Edition 51 (3), 647-651, 2012
Active participation of the Mg2+ ion in the reaction coordinate of RNA self-cleavage catalyzed by the hammerhead ribozyme
KY Wong, TS Lee, DM York
Journal of chemical theory and computation 7 (1), 1-3, 2010
Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water
J Gao, KY Wong, DT Major
Journal of computational chemistry 29 (4), 514-522, 2008
Determination of the structure form of the fourth ligand of zinc in acutolysin A using combined quantum mechanical and molecular mechanical simulation
EL Wu, KY Wong, X Zhang, K Han, J Gao
The Journal of Physical Chemistry B 113 (8), 2477-2485, 2009
Mechanistic Insights into RNA Transphosphorylation from Kinetic Isotope Effects and Linear Free Energy Relationships of Model Reactions
H Chen, TJ Giese, M Huang, KY Wong, ME Harris, DM York
Chemistry-A European Journal 20 (44), 14336-14343, 2014
Systematic approach for computing zero-point energy, quantum partition function, and tunneling effect based on Kleinert’s variational perturbation theory
KY Wong, J Gao
Journal of chemical theory and computation 4 (9), 1409-1422, 2008
Exact Relation between Potential of Mean Force and Free-Energy Profile
KY Wong, DM York
Journal of chemical theory and computation 8 (11), 3998-4003, 2012
Theoretical Analysis of Kinetic Isotope Effects on Proton Transfer Reactions between Substituted α-Methoxystyrenes and Substituted Acetic Acids
KY Wong, JP Richard, J Gao
Journal of the American Chemical Society 131 (39), 13963-13971, 2009
Insight into the phosphodiesterase mechanism from combined QM/MM free energy simulations
KY Wong, J Gao
Febs Journal 278 (14), 2579-2595, 2011
An automated integration-free path-integral method based on Kleinert’s variational perturbation theory
KY Wong, J Gao
The Journal of chemical physics 127 (21), 211103, 2007
Review of Computer Simulations of Isotope Effects on Biochemical Reactions: From the Bigeleisen Equation to Feynman’s Path Integral
KY Wong, Y Xu, L Xu
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1854 (11), 1782–1794, 2015
Ab initio path‐integral calculations of kinetic and equilibrium isotope effects on base‐catalyzed RNA transphosphorylation models
KY Wong, Y Xu, DM York
Journal of computational chemistry 35 (17), 1302-1316, 2014
Review of Feynman’s Path Integral in Quantum Statistics: from the Molecular Schrodinger Equation to Kleinert’s Variational Perturbation Theory
KY Wong
Communications in Computational Physics 15 (4), 853-894, 2014
Bridging the gap between theory and experiment to derive a detailed understanding of hammerhead ribozyme catalysis.
TS Lee, KY Wong, GM Giambasu, DM York
Progress in molecular biology and translational science 120, 25-91, 2013
Theoretical investigation of a blue hydroxyquinaldine-based aluminum (III) complex
KY Wong, CF Lo, WY Sham, HH Fong, SK So, LM Leung
Physics Letters A 321 (3), 194-198, 2004
Electronic state of nitrogen containing polypyridine at the interfaces with model sulfonic acid containing polymer and molecule
KY Wong, JAO Smallfield, M Fahlman, AJ Epstein
Synthetic metals 137 (1-3), 1031-1032, 2003
Developing a systematic approach for ab initio path-integral simulations
KY Wong
Molecular Dynamics/Book 1-Theoretical Developments and Applications in …, 2012
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Straipsniai 1–20