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Calculating pH-dependent free energy of proteins by using Monte Carlo protonation probabilities of ionizable residues

Protein folding, stability, and function are usually influenced by pH. And free energy plays a fundamental role in analysis of such pH-dependent properties. Electrostatics-based theoretical framework using dielectric solvent continuum model and solving Poisson-Boltzmann equation numerically has been...

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Detalhes bibliográficos
Publicado no:Protein Cell
Main Authors: Huang, Qiang, Herrmann, Andreas
Formato: Artigo
Idioma:Inglês
Publicado em: Higher Education Press 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4875427/
https://ncbi.nlm.nih.gov/pubmed/22467263
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s13238-012-2035-4
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