Structural Heterogeneity of Intermediate States Facilitates CRIPT Peptide Binding to the PDZ3 Domain: Insights from Molecular Dynamics and Markov State Model Analysis.
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DOI: 10.1021/acs.jctc.4c01308
Abstract: Intrinsically disordered proteins (IDPs), characterized by a lack of defined tertiary structure, are ubiquitous and indispensable components of cellular machinery. These proteins participate in a diverse array of biological processes, often undergoing conformational transitions upon… read more here.
Keywords: cript peptide; structural heterogeneity; state model; model analysis ... See more keywords