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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 226.2 kB | linux-64/frag_pele-2.2.1-py38h39e3cac_0.tar.bz2  4 years and 8 months ago 2216 main
conda 220.0 kB | linux-64/frag_pele-2.2.1-py37h39e3cac_0.tar.bz2  4 years and 8 months ago 333 main

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