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Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors

Understanding the governing factors of fast or slow inhibitor binding/unbinding assists in developing drugs with preferred kinetic properties. For inhibitors with the same binding affinity targeting different binding sites of the same protein, the kinetic behavior can profoundly differ. In this stud...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: You, Wanli, Chang, Chia-en A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5975198/
https://ncbi.nlm.nih.gov/pubmed/29620886
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00640
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