Laguerre-Intersection Method for Implicit Solvation

DOI10.1142/S0218195918500012zbMath1433.52015DBLPjournals/ijcga/HummelYSC18arXiv1712.06956OpenAlexW2964037877WikidataQ64939757 ScholiaQ64939757MaRDI QIDQ4634473

Carlos Simmerling, Evangelos A. Coutsias, Bihua Yu, Michelle Hatch Hummel

Publication date: 10 April 2018

Published in: International Journal of Computational Geometry & Applications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1712.06956

zbMATH Keywords

Voronoi tessellationLaguerre tessellationimplicit solvation

Mathematics Subject Classification ID

Computational aspects related to convexity (52B55) Computer graphics; computational geometry (digital and algorithmic aspects) (68U05) Numerical aspects of computer graphics, image analysis, and computational geometry (65D18) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Tilings in (2) dimensions (aspects of discrete geometry) (52C20)

Uses Software

• Space_filling_model_surface_volume
• Intersurf
• SBL

Cites Work

• The union of balls and its dual shape
• Computing the volume of a union of balls
• Interface surfaces for protein-protein complexes
• Unnamed Item

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