Computational approaches to modeling drug transporters.

  title={Computational approaches to modeling drug transporters.},
  author={Cheng Lin Chang and Peter W. Swaan},
  journal={European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences},
  volume={27 5},
Computational modeling has advanced our understanding of drug absorption, tissue distribution, excretion and toxicity profiles by providing both direct and indirect knowledge of drug-transporter interactions that would otherwise be unavailable using experimental methods. Currently, two complementary approaches are available in modeling transporters: substrate-based and transporter-based methods. The transporter-based approach directly predicts the transporter's three-dimensional structure to… CONTINUE READING


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