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Molecular Dynamics of Class A β-lactamases—Effects of Substrate Binding

The effects of substrate binding on class A β-lactamase dynamics were studied using molecular dynamics simulations of two model enzymes; 40 100-ns trajectories of the free and substrate-bound forms of TEM-1 (with benzylpenicillin) and PSE-4 (with carbenicillin) were recorded (totaling 4.0 μs). Subst...

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Detalhes bibliográficos
Main Authors: Fisette, Olivier, Gagné, Stéphane, Lagüe, Patrick
Formato: Artigo
Idioma:Inglês
Publicado em: The Biophysical Society 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3475387/
https://ncbi.nlm.nih.gov/pubmed/23083723
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2012.09.009
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