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A quantum-chemical picture of hemoglobin affinity

Understanding the molecular mechanism of hemoglobin cooperativity remains an enduring challenge. Protein forces that control ligand affinity are not directly accessible by experiment. We demonstrate that computational quantum mechanics/molecular mechanics methods can provide reasonable values of lig...

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Detalhes bibliográficos
Main Authors: Alcantara, R. E., Xu, C., Spiro, T. G., Guallar, V.
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2007
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2141797/
https://ncbi.nlm.nih.gov/pubmed/18003918
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0706026104
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