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Free energy surface of the Michaelis complex of lactate dehydrogenase: a network analysis of microsecond simulationsConformational Heterogeneity in the Michaelis Complex of Lactate Dehydrogenase: An Analysis of Vibrational Spectroscopy Using Markov and Hidden Markov ModelsQuantum mechanical/molecular mechanical molecular dynamics and free energy simulations of the thiopurine S-methyltransferase reaction with 6-mercaptopurine.Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM CalculationsAccelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics PerturbationStereoelectronic control in regioselective carbohydrate protectionQM/MM study on the catalytic mechanism of heme-containing aliphatic aldoxime dehydrataseUnambiguous observation of electron transfer from a zeolite framework to organic moleculesEfficient sunlight-driven dehydrogenative coupling of methane to ethane over a Zn(+)-modified zeoliteElucidation of the methyl transfer mechanism catalyzed by chalcone O-methyltransferase: a density functional studyAccelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matchingControlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of DifluoromethylbenzenesIntegrating a generalized data analysis workflow with the Single-probe mass spectrometry experiment for single cell metabolomics
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description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Xiaoliang Pan
@ast
Xiaoliang Pan
@en
Xiaoliang Pan
@es
Xiaoliang Pan
@nl
Xiaoliang Pan
@sl
type
label
Xiaoliang Pan
@ast
Xiaoliang Pan
@en
Xiaoliang Pan
@es
Xiaoliang Pan
@nl
Xiaoliang Pan
@sl
prefLabel
Xiaoliang Pan
@ast
Xiaoliang Pan
@en
Xiaoliang Pan
@es
Xiaoliang Pan
@nl
Xiaoliang Pan
@sl
P106
P1153
35111614500
P31
P496
0000-0002-6399-4853