Biomolecular electrostatics—I want your solvation (model)

We review the mathematical and computational foundations for implicit-solvent models in theoretical chemistry and molecular biophysics. These models are valuable theoretical tools for studying the influence of a solvent, often water or an aqueous electrolyte, on a molecular solute such as a protein....

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Computational science & discovery 2012, Vol.5 (1), p.13001-1-44
1. Verfasser:	Bardhan, Jaydeep P
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous electrolytes Computation Computer simulation Continuums Focusing Mathematical models Parametrization Solvation
Online-Zugang:	Volltext
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