The geometry of bimolecular solvation

MaRDI QIDQ5290262zbMATH OpenFDO

Authors Patrice Koehl, Herbert Edelsbrunner

Publication date 28 April 2006

Full work available at URL http://www.msri.org/communications/books/Book52/

zbMATH Keywords

volumeinteractionssurface areaDelaunay triangulationRNAspheresmolecular simulationderivativesVoronoi decompositionspace-filling diagramsalpha shape theoryhydrophobic effectsimplicit solved modelsprotein-ligand

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Probabilistic models, generic numerical methods in probability and statistics (65C20)

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Cited in

(8)

• Parallel computation of alpha complexes for biomolecules
• \((\delta ,\varepsilon)\)-ball approximation of a shape: definition and complexity
• Visual analysis of biomolecular surfaces
• The de Rham-Hodge analysis and modeling of biomolecules
• Laguerre-intersection method for implicit solvation
• Modeling macromolecular complexes: a journey across scales
• Geometry and topology for modeling biomolecular surfaces
• Continuous and discrete radius functions on Voronoi tessellations and Delaunay mosaics

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