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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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| Опубликовано в: : | Proc Natl Acad Sci U S A |
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| Главные авторы: | , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
National Academy of Sciences
2016
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| Предметы: | |
| Online-ссылка: | 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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