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Conformational Ensembles of an Intrinsically Disordered Protein pKID with and without a KIX Domain in Explicit Solvent Investigated by All-Atom Multicanonical Molecular Dynamics

The phosphorylated kinase-inducible activation domain (pKID) adopts a helix–loop–helix structure upon binding to its partner KIX, although it is unstructured in the unbound state. The N-terminal and C-terminal regions of pKID, which adopt helices in the complex, are called, respectively, α(A) and α(...

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Detalhes bibliográficos
Main Authors: Umezawa, Koji, Ikebe, Jinzen, Takano, Mitsunori, Nakamura, Haruki, Higo, Junichi
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4030872/
https://ncbi.nlm.nih.gov/pubmed/24970129
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/biom2010104
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