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The Origins of Femtomolar Protein–Ligand Binding: Hydrogen Bond Cooperativity and Desolvation Energetics in the Biotin–(Strept)Avidin Binding Site
The unusually strong reversible binding of biotin by avidin and streptavidin has been investigated by density functional and MP2 ab initio quantum mechanical methods. The solvation of biotin by water has also been studied through QM/MM/MC calculations. The ureido moiety of biotin in the bound state...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2527462/ https://ncbi.nlm.nih.gov/pubmed/17417839 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja066950n |
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