Molecular Determinants Underlying Binding Specificities of the ABL Kinase Inhibitors: Combining Alanine Scanning of Binding Hot Spots with Network Analysis of Residue Interactions and Coevolution

Quantifying binding specificity and drug resistance of protein kinase inhibitors is of fundamental importance and remains highly challenging due to complex interplay of structural and thermodynamic factors. In this work, molecular simulations and computational alanine scanning are combined with the...

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Detalles Bibliográficos
Autores principales: Tse, Amanda, Verkhivker, Gennady M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4468085/
https://www.ncbi.nlm.nih.gov/pubmed/26075886
http://dx.doi.org/10.1371/journal.pone.0130203

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4468085/
https://www.ncbi.nlm.nih.gov/pubmed/26075886
http://dx.doi.org/10.1371/journal.pone.0130203

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