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• W2000781660 abstract "High-level ab initio quantum mechanical/molecular mechanical (QM/MM) modelling of citryl-CoA formation in citrate synthase reveals that an arginine residue acts as the proton donor; this proposed new mechanism helps to explain how chemical and large scale conformational changes are coupled in this paradigmatic enzyme." @default.
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• W2000781660 date "2008-01-01" @default.
• W2000781660 modified "2023-10-13" @default.
• W2000781660 title "High-level QM/MM modelling predicts an arginine as the acid in the condensation reaction catalysed by citrate synthase" @default.
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• W2000781660 doi "https://doi.org/10.1039/b800496j" @default.
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