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Machine Learning Prediction of Allosteric Drug Activity from Molecular Dynamics
[Image: see text] Allosteric drugs have been attracting increasing interest over the past few years. In this context, it is common practice to use high-throughput screening for the discovery of non-natural allosteric drugs. While the discovery stage is supported by a growing amount of biological inf...
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| Опубликовано в: : | J Phys Chem Lett |
|---|---|
| Главные авторы: | , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American Chemical
Society
2021
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8154828/ https://ncbi.nlm.nih.gov/pubmed/33843228 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.1c00045 |
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