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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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Bibliografske podrobnosti
izdano v:Front Mol Biosci
Main Authors: Panel, Nicolas, Sun, Young Joo, Fuentes, Ernesto J., Simonson, Thomas
Format: Artigo
Jezik:Inglês
Izdano: Frontiers Media S.A. 2017
Teme:
Online dostop: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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