Accurate PDZ/Peptide Binding Specificity with Additive and Polarizable Free Energy Simulations

PDZ domains contain 80–100 amino acids and bind short C-terminal sequences of target proteins. Their specificity is essential for cellular signaling pathways. We studied the binding of the Tiam1 PDZ domain to peptides derived from the C-termini of its Syndecan-1 and Caspr4 targets. We used free ener...

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Bibliographic Details
Published in:Biophys J
Main Authors: Panel, Nicolas, Villa, Francesco, Fuentes, Ernesto J., Simonson, Thomas
Format: Artigo
Language:Inglês
Published: The Biophysical Society 2018
Subjects:
Proteins
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5883551/
https://ncbi.nlm.nih.gov/pubmed/29539396
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2018.01.008
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