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RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach
[Image: see text] RosettaLigand is a protein–small-molecule (ligand) docking software capable of predicting binding poses and is used for virtual screening of medium-sized ligand libraries. Structurally similar small molecules are generally found to bind in the same pose to one binding pocket, despi...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5928483/ https://www.ncbi.nlm.nih.gov/pubmed/29732444 http://dx.doi.org/10.1021/acsomega.7b02059 |