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Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations
The therapeutic effect of targeted kinase inhibitors can be significantly reduced by intrinsic or acquired resistance mutations that modulate the affinity of the drug for the kinase. In cancer, the majority of missense mutations are rare, making it difficult to predict their impact on inhibitor affi...
Autores principales: | Hauser, Kevin, Negron, Christopher, Albanese, Steven K., Ray, Soumya, Steinbrecher, Thomas, Abel, Robert, Chodera, John D., Wang, Lingle |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6110136/ https://www.ncbi.nlm.nih.gov/pubmed/30159405 http://dx.doi.org/10.1038/s42003-018-0075-x |
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