Jitrayut Jitonnom

Loop profile Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 11

Top Topics

Crystal Structure

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

Journal of biomolecular structure & dynamics

This page only lists publications with an associated author ORCID identifier.

Publications

Wijitra Meelua, Mikko Linnolahti, Jitrayut Jitonnom
Mechanism of cationic ring-opening polymerisation of ε-caprolactone using metallocene/borate catalytic systems: a DFT and NCI study on chain initiation, propagation and termination. RSC advances 14 (17) (2024)
Wijitra Meelua, Mikko Linnolahti, Jitrayut Jitonnom
Mechanism of cationic ring-opening polymerisation of ε-caprolactone using metallocene/borate catalytic systems: a DFT and NCI study on chain initiation, propagation and termination. RSC advances 14 (17) (2024)
Wijitra Meelua, Mikko Linnolahti, Jitrayut Jitonnom
Mechanism of cationic ring-opening polymerisation of ε-caprolactone using metallocene/borate catalytic systems: a DFT and NCI study on chain initiation, propagation and termination. RSC advances 14 (17) (2024)
Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob, Ran Friedman, Jitrayut Jitonnom
Multiscale QM/MM Simulations Identify the Roles of Asp239 and 1-OH···Nucleophile in Transition State Stabilization in Arabidopsis thaliana Cell-Wall Invertase 1. Journal of chemical information and modeling (2023)
Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob, Julianna Oláh, James R Ketudat Cairns, Supa Hannongbua, Ulf Ryde, Jitrayut Jitonnom
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob, Julianna Oláh, James R Ketudat Cairns, Supa Hannongbua, Ulf Ryde, Jitrayut Jitonnom
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob, Julianna Oláh, James R Ketudat Cairns, Supa Hannongbua, Ulf Ryde, Jitrayut Jitonnom
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase. Physical chemistry chemical physics : PCCP (2023)
Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob, Julianna Oláh, James R Ketudat Cairns, Supa Hannongbua, Ulf Ryde, Jitrayut Jitonnom
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Wijitra Meelua, Julianna Oláh, Jitrayut Jitonnom
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 36 (4) (2022)
Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob, Julianna Oláh, Jon I Mujika, James R Ketudat-Cairns, Supa Hannongbua, Jitrayut Jitonnom
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 (2021)
Jitrayut Jitonnom, Jon I Mujika, Marc W van der Kamp, Adrian J Mulholland
Quantum Mechanics/Molecular Mechanics Simulations Identify the Ring-Opening Mechanism of Creatininase. Biochemistry 56 (48) (2017)