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Leveraging nonstructural data to predict structures and affinities of protein–ligand complexes
Over the past five decades, tremendous effort has been devoted to computational methods for predicting properties of ligands—i.e., molecules that bind macromolecular targets. Such methods, which are critical to rational drug design, fall into two categories: physics-based methods, which directly mod...
| Autores principales: | , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
National Academy of Sciences
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8713799/ https://www.ncbi.nlm.nih.gov/pubmed/34921117 http://dx.doi.org/10.1073/pnas.2112621118 |