Jitrayut Jitonnom
Affiliations: | University of Phayao |
Area:
Physical and theoretical chemistry, computational enzymology, computational chemistry, Molecular modelingGoogle:
"Jitrayut Jitonnom"Mean distance: (not calculated yet)
Children
Sign in to add traineeTanchanok Wanjai | research assistant | 2018- | University of Phayao |
Natechanok Thinkumrob | research assistant | 2019- | University of Phayao |
Sasikan Meesong | research assistant | 2016-2017 | University of Phayao |
Nichakan Sribuaklee | research assistant | 2016-2017 | University of Phayao |
Chutikarn Phayompho | research assistant | 2017-2018 | University of Phayao |
Ployvarin Wiangkaew | research assistant | 2017-2018 | University of Phayao |
Siwimon Wongsang | research assistant | 2017-2018 | University of Phayao |
Collaborators
Sign in to add collaboratorWijitra Meelua | collaborator | 2014- | University of Phayao |
Cristoph Sontag | collaborator | 2012-2016 | University of Phayao |
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Publications
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Meelua W, Thinkumrob N, Saparpakorn P, et al. (2023) Structural basis for inhibition of a GH116 β-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study. Chemico-Biological Interactions. 384: 110717 |
Meelua W, Wanjai T, Thinkumrob N, et al. (2023) Multiscale QM/MM Simulations Identify the Roles of Asp239 and 1-OH···Nucleophile in Transition State Stabilization in Cell-Wall Invertase 1. Journal of Chemical Information and Modeling. 63: 4827-4838 |
Meelua W, Wanjai T, Thinkumrob N, et al. (2023) A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase. Physical Chemistry Chemical Physics : Pccp. 25: 8767-8778 |
Meelua W, Oláh J, Jitonnom J. (2022) Role of water coordination at zinc binding site and its catalytic pathway of dizinc creatininase: insights from quantum cluster approach. Journal of Computer-Aided Molecular Design |
Meelua W, Wanjai T, Thinkumrob N, et al. (2021) Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surface. Journal of Biomolecular Structure & Dynamics. 1-11 |
Meelua W, Keawkla N, Oláh J, et al. (2020) DFT study of formation and properties of dinuclear zirconocene cations: Effects of ligand structure, solvent, and metal on the dimerization process Journal of Organometallic Chemistry. 905: 121024 |
Jitonnom J, Meelua W. (2020) DFT study of lactide ring-opening polymerizations by aluminium trialkoxides: Understanding the effects of monomer, alkoxide substituent, solvent and metal Chemical Physics Letters. 750: 137482 |
Jitonnom J, Meelua W. (2018) Data on electronic structures for the study of ligand effects on the zirconocene-mediated trimethylene carbonate polymerization. Data in Brief. 20: 1867-1869 |
Jitonnom J. (2018) Data characterizing the energetics of enzyme-catalyzed hydrolysis and transglycosylation reactions by DFT cluster model calculations. Data in Brief. 17: 788-795 |
Jitonnom J, Ketudat-Cairns JR, Hannongbua S. (2018) QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharide. Journal of Molecular Graphics & Modelling. 79: 175-184 |