Staphylococcus aureus NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations

Deborah Palazzotti, Tommaso Felicetti, Stefano Sabatini, Stefano Moro, Maria Letizia Barreca, Mattia Sturlese, Andrea Astolfi. Staphylococcus aureus NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations. Journal of Chemical Information and Computer Sciences, 63(15):4875-4887, August 2023. [doi]

Abstract

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