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LIGSIFT: an open-source tool for ligand structural alignment and virtual screening
Motivation: Shape-based alignment of small molecules is a widely used approach in computer-aided drug discovery. Most shape-based ligand structure alignment applications, both commercial and freely available ones, use the Tanimoto coefficient or similar functions for evaluating molecular similarity....
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| Publié dans: | Bioinformatics |
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| Auteurs principaux: | , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Oxford University Press
2015
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4325547/ https://ncbi.nlm.nih.gov/pubmed/25336501 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btu692 |
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