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One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery
[Image: see text] A major goal in computational chemistry has been to discover the set of rules that can accurately predict the binding affinity of any protein-drug complex, using only a single snapshot of its three-dimensional structure. Despite the continual development of structure-based models,...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793897/ https://www.ncbi.nlm.nih.gov/pubmed/24124403 http://dx.doi.org/10.1021/ct4004228 |