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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 216.7 kB | linux-64/frag_pele-2.1.1-py37h39e3cac_0.tar.bz2  5 years and 2 days ago 35 main
conda 214.2 kB | linux-64/frag_pele-2.1.1-py38h39e3cac_0.tar.bz2  5 years and 24 days ago 17 main
conda 212.1 kB | linux-64/frag_pele-2.1.1-py36h39e3cac_0.tar.bz2  5 years and 24 days ago 10 main
conda 213.3 kB | linux-64/frag_pele-2.1.1-py35h39e3cac_0.tar.bz2  5 years and 24 days ago 3 main

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