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Predicting protein–ligand affinity with a random matrix framework
Rapid determination of whether a candidate compound will bind to a particular target receptor remains a stumbling block in drug discovery. We use an approach inspired by random matrix theory to decompose the known ligand set of a target in terms of orthogonal “signals” of salient chemical features,...
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| Publicat a: | Proc Natl Acad Sci U S A |
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| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5137738/ https://ncbi.nlm.nih.gov/pubmed/27856761 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1611138113 |
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