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J-GLOBAL ID：202002213698293998   Reference number：20A0774838

Theoretical analysis of the kinetic isotope effect on carboxylation in RubisCO

Rubiscoにおけるカルボキシル化に対する速度論的同位体効果の理論的解析【JST・京大機械翻訳】

Author (7)： Jiang Tianlong (Department of Materials and Life Sciences, Sophia University, Tokyo, Japan) ,  Moriwaki Kenta (Department of Materials and Life Sciences, Sophia University, Tokyo, Japan) ,  Kobayashi Osamu (Department of Materials and Life Sciences, Sophia University, Tokyo, Japan) ,  Kobayashi Osamu (Department of Nanosystem Science, Yokohama City University, Yokohama, Japan) ,  Ishimura Kazuya (Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki, Japan) ,  Danielache Sebastian O. (Department of Materials and Life Sciences, Sophia University, Tokyo, Japan) ,  Nanbu Shinkoh (Department of Materials and Life Sciences, Sophia University, Tokyo, Japan)
Material： Journal of Computational Chemistry  (J Comput Chem)
Volume： 41  Issue： 11  Page： 1116-1123  Publication year： 2020 
JST Material Number： C0111B  ISSN： 0192-8651  CODEN： JCCHDD  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Ribulose-1,5-bisphosphate carb...

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Thesaurus term： diffusion coefficient ,  single donor oxygenase ,  isotope fractionation ,  *carboxylation ,  molecular orbital ,  molecular dynamics ,  carbon dioxide ,  C-C ligase ,  reaction path ,  phosphoric acid ,  *ribulose-bisphosphate carboxylase ,  simulation ,  intramolecular dynamics ,  free energy ,  channel

Author keywords (5)： diffusion coefficient ,  free energy ,  ONIOM MD simulation ,  QM/MM approach ,  RubisCO

JST classification (2)： Electronic structure of molecules  (BH05010Q) ,  Reaction kinetics and catalyst in general  (CB06010G)

Terms in the title (5)： Rubisco ,  カルボキシル化 ,  速度論的同位体効果 ,  理論 ,  解析