Quantum Mechanics/Molecular Mechanics Studies on the Catalytic Mechanism of a Novel Esterase (FmtA) of Staphylococcus aureus
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DOI: 10.1021/acs.jcim.2c00057
Abstract: FmtA is a novel esterase that shares the penicillin-binding protein (PBP) core structural folding but found to hydrolyze the removal of d-Ala from teichoic acids. Molecular docking, dynamics, and MM-GBSA of FmtA and its variants… read more here.
Keywords: novel esterase; mechanics molecular; molecular mechanics; fmta ... See more keywords