The geometry of bimolecular solvation

zbMATH Open1087.92022MaRDI QIDQ5290262FDOQ5290262

Authors: Patrice Koehl, Herbert Edelsbrunner 

Publication date: 28 April 2006

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

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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)

Cited In (8)

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

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