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Differential Geometry-Based Solvation and Electrolyte Transport Models for Biomolecular Modeling: A Review
[chapter]
2016
Many-Body Effects and Electrostatics in Biomolecules
This chapter reviews the differential geometry-based solvation and electrolyte transport for biomolecular solvation that have been developed over the past decade. A key component of these methods is the differential geometry of surfaces theory, as applied to the solvent-solute boundary. In these approaches, the solvent-solute boundary is determined by a variational principle that determines the major physical observables of interest, for example, biomolecular surface area, enclosed volume,
doi:10.1201/b21343-15
fatcat:h3gkx3nopnemnd24ldjg7pa44e