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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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Détails bibliographiques
Publié dans:Bioinformatics
Auteurs principaux: Roy, Ambrish, Skolnick, Jeffrey
Format: Artigo
Langue:Inglês
Publié: Oxford University Press 2015
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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