Level-set minimization of potential controlled Hadwiger valuations for molecular solvation

DOI10.1016/J.JCP.2010.07.032MaRDI QIDQ602950zbMATH OpenOpenAlexWikidataFDO

Authors Li-Tien Cheng, Bo Li, Zhongming Wang

Publication date 5 November 2010

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL http://europepmc.org/articles/pmc3273873

zbMATH Keywords

mean curvatureGaussian curvaturelevel-set methodHadwiger valuationsmolecular solvationnormal velocitythe Lennard-Jones potential

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20)

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Cites work

• scientific article; zbMATH DE number 3128853 (Why is no real title available?)
• scientific article; zbMATH DE number 1349965 (Why is no real title available?)
• scientific article; zbMATH DE number 1113187 (Why is no real title available?)
• A PDE-based fast local level set method
• A proof that a discrete delta function is second-order accurate
• Fronts propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulations
• Level set approach to mean curvature flow in arbitrary codimension
• Level set methods and dynamic implicit surfaces
• Motion of level sets by mean curvature. I
• Redistancing by flow of time dependent eikonal equation
• The numerical approximation of a delta function with application to level set methods

Cited in

(8)

• Model the solvent-excluded surface of 3D protein molecular structures using geometric PDE-based level-set method
• Explicit-solute implicit-solvent molecular simulation with binary level-set, adaptive-mobility, and GPU
• Diffused Solute-Solvent Interface with Poisson--Boltzmann Electrostatics: Free-Energy Variation and Sharp-Interface Limit
• Numerical treatment of Stokes solvent flow and solute-solvent interfacial dynamics for nonpolar molecules
• Binary Level Set Method for Variational Implicit Solvation Model
• Minimization and Eulerian formulation of differential geometry based nonpolar multiscale solvation models
• A generalized Rayleigh-Plesset equation for ions with solvent fluctuations
• Numerical methods for solvent Stokes flow and solute-solvent interfacial dynamics of charged molecules

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