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Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations
[Image: see text] Binding selectivity is a requirement for the development of a safe drug, and it is a critical property for chemical probes used in preclinical target validation. Engineering selectivity adds considerable complexity to the rational design of new drugs, as it involves the optimizatio...
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| Gepubliceerd in: | J Am Chem Soc |
|---|---|
| Hoofdauteurs: | , , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
American Chemical
Society
2016
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| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5253712/ https://ncbi.nlm.nih.gov/pubmed/28009512 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.6b11467 |
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