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Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening
Computational techniques such as structure-based virtual screening require carefully prepared 3D models of potential small-molecule ligands. Though powerful, existing commercial programs for virtual-library preparation have restrictive and/or expensive licenses. Freely available alternatives, though...
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| Publié dans: | J Cheminform |
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| Auteurs principaux: | , , , , , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Springer International Publishing
2019
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6534830/ https://ncbi.nlm.nih.gov/pubmed/31127411 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0358-3 |
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