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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 263.6 kB | osx-64/frag_pele-3.1.3-py37h7772d1b_0.tar.bz2  2 years and 8 months ago 2 main
conda 263.5 kB | linux-64/frag_pele-3.1.3-py37hfeaa757_0.tar.bz2  2 years and 8 months ago 2 main
conda 261.5 kB | osx-64/frag_pele-3.1.3-py38h7772d1b_0.tar.bz2  2 years and 8 months ago 2 main
conda 261.8 kB | linux-64/frag_pele-3.1.3-py38hfeaa757_0.tar.bz2  2 years and 8 months ago 2 main

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