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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 261.8 kB | osx-64/frag_pele-3.1.1-py37h39e3cac_0.tar.bz2  3 years and 8 months ago 10 main
conda 267.0 kB | osx-64/frag_pele-3.1.1-py38h7772d1b_0.tar.bz2  3 years and 8 months ago 15 main
conda 249.2 kB | linux-64/frag_pele-3.1.1-py37hfeaa757_0.tar.bz2  3 years and 8 months ago 40 main
conda 267.8 kB | linux-64/frag_pele-3.1.1-py38hfeaa757_0.tar.bz2  3 years and 8 months ago 205 main

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