Automated parallel and body-fitted mesh generation in finite element simulation of macromolecular systems

DOI10.4208/CICP.161114.021015AMaRDI QIDQ5372473zbMATH OpenOpenAlexFDO

Authors Yan Xie, Tiantian Liu, Bin Tu, Benzhuo Lu, Linbo Zhang

Publication date 27 October 2017

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

Full work available at URL https://doi.org/10.4208/cicp.161114.021015a

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Parallel numerical computation (65Y05) Biochemistry, molecular biology (92C40)

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Cited in

(4)

• Quality meshing of implicit solvation models of biomolecular structures
• Efficient and qualified mesh generation for Gaussian molecular surface using adaptive partition and piecewise polynomial approximation
• Efficient generation of membrane and solvent tetrahedral meshes for ion channel finite element calculation
• A flux-based moving mesh method applied to solving the Poisson-Nernst-Planck equations

Describes a project that uses

Uses Software

• PDB2PQR
• phgSurfaceCut
• Medit
• METIS
• PHG
• iso2mesh
• TMSmesh

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