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Identification of druggable kinase target conformations using Markov model metastable states analysis of apo-Abl
Kinases are important targets for drug development. However, accounting for the impact of possible structural rearrangements on the binding of kinase inhibitors is complicated by the extensive flexibility of their catalytic domain. The dynamic N-lobe contains four particular mobile structural elemen...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7398592/ https://ncbi.nlm.nih.gov/pubmed/31999924 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b01158 |
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