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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Autores principales: Hajjar, Eric, Mahendran, Kozhinjampara R., Kumar, Amit, Bessonov, Andrey, Petrescu, Mircea, Weingart, Helge, Ruggerone, Paolo, Winterhalter, Mathias, Ceccarelli, Matteo
Formato: Artigo
Lenguaje:Inglês
Publicado: The Biophysical Society 2010
Materias:
Channels and Transporters
Acceso en línea: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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