Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter.


Membrane transporters are critical modulators of drug pharmacokinetics, efficacy, and safety. One example is the proton-dependent oligopeptide transporter PepT1, also known as SLC15A1, which is responsible for the uptake of the ?-lactam antibiotics and various peptide-based prodrugs. In this study, we modeled the binding of various peptides to a bacterial… (More)
DOI: 10.1016/j.chembiol.2015.11.015


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