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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 266.9 kB | osx-64/frag_pele-3.0.0-py38h7772d1b_0.tar.bz2  3 years and 10 months ago 6 main
conda 257.4 kB | osx-64/frag_pele-3.0.0-py37h39e3cac_0.tar.bz2  3 years and 10 months ago 5 main
conda 261.0 kB | linux-64/frag_pele-3.0.0-py37hfeaa757_0.tar.bz2  3 years and 10 months ago 5 main
conda 257.8 kB | linux-64/frag_pele-3.0.0-py38hfeaa757_0.tar.bz2  3 years and 10 months ago 11 main

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