Substrate-Dependent Mobile Loop Conformational Changes in Alkanesulfonate Monooxygenase from Accelerated Molecular Dynamics.
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DOI: 10.1021/acs.biochem.0c00633
Abstract: Substrate-induced conformational changes present in alkanesulfonate monooxygenase (SsuD) are crucial to catalysis and lead to distinct interactions between a dynamic loop region and the active site. Accelerated molecular dynamics (aMD) simulations have been carried out… read more here.
Keywords: alkanesulfonate monooxygenase; molecular dynamics; accelerated molecular; conformational changes ... See more keywords