Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase

Marc W van der Kamp, Jolanta Zurek, Frederick R Manby, Jeremy N Harvey, Adrian J Mulholland

Research output: Contribution to journalArticle (Academic Journal)peer-review

60 Citations (Scopus)

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Chemistry

Biochemistry, Genetics and Molecular Biology