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Drug permeability prediction using PMF method.

Fancui Meng1, Weiren Xu

  • 1State Key Laboratory of Drug Delivery Technology and Pharmacokinetics, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, People's Republic of China. fancuimeng@yahoo.com.cn

Journal of Molecular Modeling
|October 30, 2012
PubMed
Summary

Simulating drug permeability using molecular dynamics and potential of mean force (PMF) methods reveals energy barriers for drug passage across cellular membranes. This approach accurately predicts drug permeability, aiding in the development of new oral medications.

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