QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes

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Org. Biomol. Chem., 2018, 16,4443-4455DOI: 10.1039/C8OB00066B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Emilio Lence, Marc W. van der Kamp, Concepcion Gonzalez-Bello, Adrian J. MulhollandMultiscale simulations pinpoint specific interactions responsible for differences in stabilization of key reacting species in two recognized targets for antibiotic development.The content of this RSS Feed (c) The Royal Society of Chemistry

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