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Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules
Druggability assessment of a target protein has emerged in recent years as an important concept in hit-to-lead optimization. A reliable and physically relevant measure of druggability would allow informed decisions on the risk of investing in a particular target. Here, we define “druggability” as a...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3392909/ https://www.ncbi.nlm.nih.gov/pubmed/22798729 http://dx.doi.org/10.1021/ct300117j |