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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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Detalhes bibliográficos
Publicado no:J Comput Chem
Main Authors: Chakavorty, Arghya, Li, Lin, Alexov, Emil
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha: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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