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How and when does an anticancer drug leave its binding site?
Obtaining atomistic resolution of drug unbinding from a protein is a much sought-after experimental and computational challenge. We report the unbinding dynamics of the anticancer drug dasatinib from c-Src kinase in full atomistic resolution using enhanced sampling molecular dynamics simulations. We...
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| Publicado no: | Sci Adv |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Association for the Advancement of Science
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5451192/ https://ncbi.nlm.nih.gov/pubmed/28580424 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.1700014 |
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