Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO-Dehydrogenase? Answers from Theory.

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第一作者： Anna,Rovaletti

第一单位： Department of Earth and Environmental Sciences, Milano-Bicocca University, Piazza della Scienza 1, Milano, Italy.

作者： Anna,Rovaletti ^[1] ; Giorgio,Moro ^[2] ; Ugo,Cosentino ^[1] ; Ulf,Ryde ^[3] ; Claudio,Greco ^[1]

作者单位： Department of Earth and Environmental Sciences, Milano-Bicocca University, Piazza della Scienza 1, Milano, Italy. ^[1] Department of Biotechnology and Biosciences, Milano-Bicocca University, Piazza della Scienza 2, Milano, Italy. ^[2] Department of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00, Lund, Sweden. ^[3]

关键词 CO oxidation Mo/Cu CO dehydrogenase QM/MM biocatalysis nucleophilic addition

主题词醛氧化还原酶类(Aldehyde Oxidoreductases);铜(Copper);钼(Molybdenum);多酶复合物(Multienzyme Complexes);氧化还原(Oxidation-Reduction);量子论(Quantum Theory);水(Water)

DOI 10.1002/cphc.202200053

PMID 35170169

发布时间 2022-07-31

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准确一般字义偏差语意偏离译文作用小提交