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Automatic recognition of ligands in electron density by machine learning
MOTIVATION: The correct identification of ligands in crystal structures of protein complexes is the cornerstone of structure-guided drug design. However, cognitive bias can sometimes mislead investigators into modeling fictitious compounds without solid support from the electron density maps. Ligand...
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| Publié dans: | Bioinformatics |
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| Auteurs principaux: | , , , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Oxford University Press
2019
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6361236/ https://ncbi.nlm.nih.gov/pubmed/30016407 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/bty626 |
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