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FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space.

Type Size Name Uploaded Downloads Labels
conda 1.4 MB | linux-64/frag_pele-1.0.0-py37_0.tar.bz2  5 years and 10 months ago 21 main
conda 1.4 MB | linux-64/frag_pele-1.0.0-py36_0.tar.bz2  5 years and 10 months ago 2 main
conda 1.4 MB | linux-64/frag_pele-1.0.0-py35_0.tar.bz2  5 years and 10 months ago 2 main

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