Natechanok Thinkumrob

Multiscale QM/MM Simulations Identify the Roles of Asp239 and 1-OH···Nucleophile in Transition State Stabilization in <i>Arabidopsis thaliana</i> Cell-Wall Invertase 1

Tanchanok Wanjai, Natechanok Thinkumrob, Ran Friedman et al. · Journal of Chemical Information and Modeling · 2023 · 28 citations

Life Sciences, Biochemistry, Plant Biology +17

Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surface

Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 23 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase

Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob et al. · Physical Chemistry Chemical Physics · 2023 · 15 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

Structural basis for inhibition of a GH116 β-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study

Wijitra Meelua, Natechanok Thinkumrob, Patchreenart Saparpakorn et al. · Chemico-Biological Interactions · 2023 · 15 citations

Life Sciences, Biochemistry, Molecular Biology +16

Binding interactions and in silico ADME prediction of isoconessimine derivatives as potent acetylcholinesterase inhibitors

Panthip Tue-ngeun, Waleepan Rakitikul, Natechanok Thinkumrob et al. · Journal of Molecular Graphics and Modelling · 2024 · 14 citations

Pharmacy, Medicinal Chemistry, Pharmacology +16