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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Main Authors: Hajjar, Eric, Mahendran, Kozhinjampara R., Kumar, Amit, Bessonov, Andrey, Petrescu, Mircea, Weingart, Helge, Ruggerone, Paolo, Winterhalter, Mathias, Ceccarelli, Matteo
格式: Artigo
語言:Inglês
出版: The Biophysical Society 2010
主題:
Channels and Transporters
在線閱讀: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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