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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 208.9 kB | linux-64/frag_pele-2.0.0-py37h39e3cac_0.tar.bz2  5 years and 5 months ago 12 main
conda 210.9 kB | linux-64/frag_pele-2.0.0-py36h39e3cac_0.tar.bz2  5 years and 5 months ago 4 main
conda 215.1 kB | linux-64/frag_pele-2.0.0-py35h39e3cac_0.tar.bz2  5 years and 5 months ago 2 main

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