Geometric filtering of pairwise atomic interactions applied to the design of efficient statistical potentials

DOI10.1016/J.CAGD.2006.03.002MaRDI QIDQ2506963zbMATH OpenOpenAlexFDO

Authors Afra Zomorodian, Leonidas Guibas, Patrice Koehl

Publication date 10 October 2006

Published in Computer Aided Geometric Design (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cagd.2006.03.002

zbMATH Keywords

alpha shapeDelaunaygeometric filteringprotein structurestatistical potentials

Mathematics Subject Classification ID

Biophysics (92C05) Biochemistry, molecular biology (92C40)

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Cites work

• scientific article; zbMATH DE number 1033560 (Why is no real title available?)
• The union of balls and its dual shape
• Three-dimensional alpha shapes

Cited in

(4)

• Model of protein fragments and statistical potentials
• Geometric modeling applications in rational drug design: a survey
• On the physical relevance and statistical interpretation of knowledge-based potentials
• Adaptive skin meshes coarsening for biomolecular simulation

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