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Constraining binding hot spots: NMR and MD simulations provide a structural explanation for enthalpy-entropy compensation in SH2-ligand binding

NMR spectroscopy and molecular dynamics (MD) simulations were used to probe the structure and dynamics of complexes of three phosphotyrosine-derived peptides with the Src SH2 domain in an effort to uncover a structural explanation for enthalpy-entropy compensation observed in the binding thermodynam...

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Detalhes bibliográficos
Main Authors: Ward, Joshua M., Gorenstein, Nina M., Tian, Jianhua, Martin, Stephen F., Post, Carol Beth
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2943377/
https://ncbi.nlm.nih.gov/pubmed/20698672
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja910535j
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