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Representation of Ion–Protein Interactions Using the Drude Polarizable Force-Field

[Image: see text] Small metal ions play critical roles in numerous biological processes. Of particular interest is how metalloenzymes are allosterically regulated by the binding of specific ions. Understanding how ion binding affects these biological processes requires atomic models that accurately...

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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Li, Hui, Ngo, Van, Da Silva, Mauricio Chagas, Salahub, Dennis R., Callahan, Karen, Roux, Benoît, Noskov, Sergei Yu.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2015
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4516320/
https://ncbi.nlm.nih.gov/pubmed/25578354
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp510560k
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