DRUG DISCOVERY INTERFACE: Functional Group Dependence of Solute Partitioning to Various Locations Within a DOPC Bilayer: A Comparison of Molecular Dynamics Simulations with Experiment
Journal of Pharmaceutical Sciences（2011）
关键词
bilayer,passive diffusion/transport,molecular dynamics,molecular modeling,membrane transport,lipids,in silico modeling,bioavailability,computer aided drug design,drug transport
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