Tunnels and Voids in Molecules via Voronoi Diagrams and Beta-Complexes

DOI10.1007/978-3-642-41905-8_7MaRDI QIDQ2868523zbMATH OpenOpenAlexFDO

Authors Youngsong Cho, Jae Kwan Kim, D.-S. Kim, K. Sugihara

Publication date 17 December 2013

Published in Transactions on Computational Science XX (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-642-41905-8_7

zbMATH Keywords

beta-complexbeta-shapebounding stateexternal structuremolecular structurequasi-triangulationsimplexessimplicial complexunion of disksunion of spheresVan der Waals regionVoronoi diagram of spheres

Mathematics Subject Classification ID

Computer graphics; computational geometry (digital and algorithmic aspects) (68U05) Protein sequences, DNA sequences (92D20)

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Cited in

(6)

• On the definition and the construction of pockets in macromolecules
• Visualizing the dual space of biological molecules
• BULL! -- the molecular geometry engine based on Voronoi diagram, quasi-triangulation, and beta-complex
• The β-Shape and β-Complex for Analysis of Molecular Structures
• Detecting cavities in a system of overlapping spheres using enveloping triangulation
• A β-Shape from the Voronoi Diagram of Atoms for Protein Structure Analysis

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