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Continuum Electrostatics Approaches to Calculating pK(a)s and E(m)s in Proteins

Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions are dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state chang...

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Detalhes bibliográficos
Publicado no:Methods Enzymol
Main Authors: Gunner, MR, Baker, Nathan A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5380367/
https://ncbi.nlm.nih.gov/pubmed/27497160
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/bs.mie.2016.05.052
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