A fast variational method for the construction of resolution adaptive \(C^2\)-smooth molecular surfaces

DOI10.1016/j.cma.2008.12.042zbMath1227.74106OpenAlexW2130462131WikidataQ41906669 ScholiaQ41906669MaRDI QIDQ649401

Qin Zhang, Guo-liang Xu, Chandrajit L. Bajaj

Publication date: 30 November 2011

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: http://europepmc.org/articles/pmc2755577

zbMATH Keywords

variational methodsmolecular surfacegeometric partial differential equationhigh-order level-set

Mathematics Subject Classification ID

Energy minimization in equilibrium problems in solid mechanics (74G65) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

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A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules, Wavelet BEM on molecular surfaces: solvent excluded surfaces

Uses Software

• APBS
• TexMol

Cites Work

• Unnamed Item
• Deformable smooth surface design
• A PDE-based fast local level set method
• Dynamic maintenance and visualization of molecular surfaces.
• Quality meshing of implicit solvation models of biomolecular structures
• Fast Molecular Solvation Energetics and Forces Computation
• Topology Based Selection and Curation of Level Sets
• Variational principles, surface evolution, PDEs, level set methods, and the stereo problem
• Dynamic skin triangulation
• Triangulating the surface of a molecule