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

• Published in: Biomolecules
• Main Authors: Shang Wang, Yan Xu, Xiao-Wei Yu
• Format: Article in Journal/Newspaper
• Language: English
• Published: MDPI AG 2021
• Subjects: lipase; molecular dynamic simulation; non-aqueous phase catalysis; Microbiology; QR1-502; Rugosa; Antarc*; Antarctica
• Online Access: https://doi.org/10.3390/biom11060848; https://doaj.org/article/e0b1a39851884d66a67a43b8e18379f5

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, Candida antarctica lipase B, Candida rugosa lipase and Rhizopus chinensis lipase were used as research models to...