A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain

PDZ domains generally bind short amino acid sequences at the C-terminus of target proteins, and short peptides can be used as inhibitors or model ligands. Here, we used experimental binding assays and molecular dynamics simulations to characterize 51 complexes involving the Tiam1 PDZ domain and to t...

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Veröffentlicht in:Front Mol Biosci
Hauptverfasser: Panel, Nicolas, Sun, Young Joo, Fuentes, Ernesto J., Simonson, Thomas
Format: Artigo
Sprache:Inglês
Veröffentlicht: Frontiers Media S.A. 2017
Schlagworte:
Molecular Biosciences
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5623046/
https://ncbi.nlm.nih.gov/pubmed/29018806
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2017.00065
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