Browsing D3R by Subject "Free energy perturbation sb Docking sb Farnesoid X receptor sb FXR sb D3R sb FEP+ sb free energy perturbation"
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Computer-aided drug design to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2
Computer-aided drug design has become an integral part of drug discovery and development efforts in the pharmaceutical and biotechnology industry, and is nowadays extensively used in the lead identification and lead ...