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Born-Oppenheimer ab initio QM/MM molecular dynamics simulations of the hydrolysis reaction catalyzed by protein arginine deiminase 4.

The journal of physical chemistry. B2009Ke Z, Wang S, Xie D, et al.
Study designOther primary literature
SubjectUnknown

Abstract

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MeSH

BiocatalysisCitrullineHydrogen BondingHydrolasesHydrolysisMolecular Dynamics SimulationProtein-Arginine DeiminasesQuantum TheoryTime Factors

DOI 10.1021/jp9080614

PMID 20028143

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