Minimization and Eulerian formulation of differential geometry based nonpolar multiscale solvation models

DOI10.1515/mlbmb-2016-0005zbMath1394.92037OpenAlexW2570888071MaRDI QIDQ1667858

Zhan Chen

Publication date: 31 August 2018

Published in: Molecular Based Mathematical Biology (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1515/mlbmb-2016-0005

zbMATH Keywords

minimizationEulerian formulationdifferential geometry based multiscale modelnonpolar solvation free energy

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Biophysics (92C05) Applications of global differential geometry to the sciences (53C80) Applications of local differential geometry to the sciences (53B50)

Related Items (2)

A new approach to constrained total variation solvation models and the study of solute-solvent interface profiles ⋮ A constrained variational model of biomolecular solvation and its numerical implementation

Cites Work

• Differential geometry based solvation model. I: Eulerian formulation
• Differential geometry based solvation model II: Lagrangian formulation
• Differential geometry based multiscale models
• Geometric and potential driving formation and evolution of biomolecular surfaces
• The effect of a singular perturbation on nonconvex variational problems
• Convergence of phase-field free energy and boundary force for molecular solvation
• The gradient theory of phase transitions and the minimal interface criterion
• Curvature Measures
• Variational Implicit Solvation with Solute Molecular Mechanics: From Diffuse-Interface to Sharp-Interface Models

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