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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 251.9 kB | osx-64/frag_pele-3.1.2-py37h7772d1b_0.tar.bz2  2 years and 8 months ago 2 main
conda 263.4 kB | linux-64/frag_pele-3.1.2-py37hfeaa757_0.tar.bz2  2 years and 8 months ago 2 main
conda 259.7 kB | osx-64/frag_pele-3.1.2-py38h7772d1b_0.tar.bz2  2 years and 8 months ago 2 main
conda 249.1 kB | linux-64/frag_pele-3.1.2-py38hfeaa757_0.tar.bz2  2 years and 8 months ago 3 main

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