A novel fragment-based growing tool for hit-to-lead in drug design
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FrAG, 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
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leelasd/frag_pele
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FrAG, 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
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- Python 94.6%
- Mathematica 4.5%
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