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Rationalizing Tight Ligand Binding through Cooperative Interaction Networks
[Image: see text] Small modifications of the molecular structure of a ligand sometimes cause strong gains in binding affinity to a protein target, rendering a weakly active chemical series suddenly attractive for further optimization. Our goal in this study is to better rationalize and predict the o...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2011
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246350/ https://www.ncbi.nlm.nih.gov/pubmed/22087588 http://dx.doi.org/10.1021/ci200319e |