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Electrostatic component of binding energy: Interpreting predictions from Poisson-Boltzmann equation and modelling protocols

Macromolecular interactions are essential for understanding numerous biological processes and are typically characterized by the binding free energy. Important component of the binding free energy is the electrostatics, which is frequently modeled via the solutions of the Poisson-Boltzmann Equations...

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Detalles Bibliográficos
Publicado en:J Comput Chem
Main Authors: Chakavorty, Arghya, Li, Lin, Alexov, Emil
Formato: Artigo
Idioma:Inglês
Publicado: 2016
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC5030180/
https://ncbi.nlm.nih.gov/pubmed/27546093
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24475
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