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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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Détails bibliographiques
Publié dans:Methods Enzymol
Auteurs principaux: Gunner, MR, Baker, Nathan A.
Format: Artigo
Langue:Inglês
Publié: 2016
Sujets:
Accès en ligne: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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