Van der Waals surface graphs and molecular shape

DOI10.1023/A:1019137712057MaRDI QIDQ1265809zbMATH OpenFDO

Authors David C. Whitley

Publication date 27 September 1998

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

zbMATH Keywords

Voronoi diagramvan der Waals shape graphvan der Waals surface graphs

Mathematics Subject Classification ID

Applications of graph theory (05C90) Chemistry (92E99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited in

(3)

• Wavelet BEM on molecular surfaces: solvent excluded surfaces
• Wavelet BEM on molecular surfaces: parametrization and implementation
• Triangulating the surface of a molecule

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