about
Determination of the structure form of the fourth ligand of zinc in Acutolysin A using combined quantum mechanical and molecular mechanical simulationCombined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water.Mechanistic insights into RNA transphosphorylation from kinetic isotope effects and linear free energy relationships of model reactions.Bridging the gap between theory and experiment to derive a detailed understanding of hammerhead ribozyme catalysis.A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acidsRoadmaps through free energy landscapes calculated using the multi-dimensional vFEP approach.Review of computer simulations of isotope effects on biochemical reactions: From the Bigeleisen equation to Feynman's path integral.Exact Relation between Potential of Mean Force and Free-Energy ProfileAn automated integration-free path-integral method based on Kleinert's variational perturbation theory.Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.The reaction mechanism of paraoxon hydrolysis by phosphotriesterase from combined QM/MM simulations.
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Kin-Yiu Wong
@ast
Kin-Yiu Wong
@en
Kin-Yiu Wong
@es
Kin-Yiu Wong
@nl
Kin-Yiu Wong
@sl
type
label
Kin-Yiu Wong
@ast
Kin-Yiu Wong
@en
Kin-Yiu Wong
@es
Kin-Yiu Wong
@nl
Kin-Yiu Wong
@sl
altLabel
K Wong
@en
K.-Y. Wong
@en
K.Y. Wong
@en
KY Wong
@en
Kin Yiu Wong
@en
Kiniu Wong
@en
黃健耀
@en
prefLabel
Kin-Yiu Wong
@ast
Kin-Yiu Wong
@en
Kin-Yiu Wong
@es
Kin-Yiu Wong
@nl
Kin-Yiu Wong
@sl
P1053
E-8302-2013
P106
P31
P3829
P496
0000-0001-9745-3345
P569
2000-01-01T00:00:00Z