Micro-Aqueous Organic System: A Neglected Model in Computational Lipase Design?

Water content is an important factor in lipase-catalyzed reactions in organic media but is frequently ignored in the study of lipases by molecular dynamics (MD) simulation. In this study, <i>Candida antarctica</i> lipase B, <i>Candida rugosa</i> lipase and <i>Rhizopus c...

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Bibliographic Details
Main Authors: Shang Wang, Yan Xu, Xiao-Wei Yu
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Biomolecules
Subjects:
Online Access:https://www.mdpi.com/2218-273X/11/6/848