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Binding mode information improves fragment docking
Docking is commonly used in drug discovery to predict how ligand binds to protein target. Best programs are generally able to generate a correct solution, yet often fail to identify it. In the case of drug-like molecules, the correct and incorrect poses can be sorted by similarity to the crystallogr...
Guardat en:
| Publicat a: | J Cheminform |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer International Publishing
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6431075/ https://ncbi.nlm.nih.gov/pubmed/30903304 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0346-7 |
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