Bridging Timescales and Length Scales: From Macroscopic Flux to the Molecular Mechanism of Antibiotic Diffusion through Porins

Our aim in this study was to provide an atomic description of ampicillin translocation through OmpF, the major outer membrane channel in Escherichia coli and main entry point for β-lactam antibiotics. By applying metadynamics simulations, we also obtained the energy barriers along the diffusion path...

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Detalhes bibliográficos
Main Authors: Hajjar, Eric, Mahendran, Kozhinjampara R., Kumar, Amit, Bessonov, Andrey, Petrescu, Mircea, Weingart, Helge, Ruggerone, Paolo, Winterhalter, Mathias, Ceccarelli, Matteo
Formato: Artigo
Idioma:Inglês
Publicado em: The Biophysical Society 2010
Assuntos:
Channels and Transporters
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2820638/
https://ncbi.nlm.nih.gov/pubmed/20159153
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2009.10.045
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