Multiscale geometric modeling of macromolecules. I: Cartesian representation

DOI10.1016/j.jcp.2013.09.034zbMath1349.92016OpenAlexW2002854257WikidataQ42837153 ScholiaQ42837153MaRDI QIDQ348531

Xin Feng, Guo-Wei Wei, Zhan Chen, Yiying Tong, Ke-Lin Xia

Publication date: 5 December 2016

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

Full work available at URL: http://europepmc.org/articles/pmc3855405

zbMATH Keywords

free energy functionalcurvature analysisEMDataBankhigh order geometric PDEsprotein characterizationProtein Data Bankvariational multiscale surfaces

Mathematics Subject Classification ID

Biomedical imaging and signal processing (92C55) Biochemistry, molecular biology (92C40) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Computer-aided design (modeling of curves and surfaces) (65D17) Computational methods for problems pertaining to biology (92-08)

Related Items (5)

Solving elliptic interface problems with jump conditions on Cartesian grids ⋮ Object-oriented persistent homology ⋮ Geometric and electrostatic modeling using molecular rigidity functions ⋮ The de Rham-Hodge analysis and modeling of biomolecules ⋮ Evolutionary de Rham-Hodge method

Uses Software

• APBS
• MIBPB
• TOMOBFLOW

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