Class a Beta-Lactamase Dynamics from Molecular Dynamics Simulations
نویسندگان
چکیده
منابع مشابه
Insight into the mechanism of the IMP-1 metallo-beta-lactamase by molecular dynamics simulations.
Two models, a purely nonbonded model and a cationic dummy atom approach, were examined for the modeling of the binuclear zinc-containing IMP-1 metallo-beta-lactamase in complex with a mercaptocarboxylate inhibitor. The cationic dummy atom approach had substantial advantages as it maintained the initial, experimentally determined geometry of the metal-containing active site during molecular dyna...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2011
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2010.12.3111