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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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Detalhes bibliográficos
Publicado no:Front Mol Biosci
Main Authors: Panel, Nicolas, Sun, Young Joo, Fuentes, Ernesto J., Simonson, Thomas
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2017
Assuntos:
Acesso em linha: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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