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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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Publicat a:J Comput Chem
Autors principals: Chakavorty, Arghya, Li, Lin, Alexov, Emil
Format: Artigo
Idioma:Inglês
Publicat: 2016
Matèries:
Accés en línia: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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