Carregant...

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...

Descripció completa

Guardat en:
Dades bibliogràfiques
Publicat a:Sci Adv
Autors principals: Tiwary, Pratyush, Mondal, Jagannath, Berne, B. J.
Format: Artigo
Idioma:Inglês
Publicat: American Association for the Advancement of Science 2017
Matèries:
Accés en línia: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
Etiquetes: Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!