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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...
Autores principales: | Panel, Nicolas, Sun, Young Joo, Fuentes, Ernesto J., Simonson, Thomas |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5623046/ https://www.ncbi.nlm.nih.gov/pubmed/29018806 http://dx.doi.org/10.3389/fmolb.2017.00065 |
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