Use of Caley-Menger determinants in the calculation of molecular structures

DOI10.1016/0021-9991(80)90004-2zbMath0466.70020OpenAlexW2033712273MaRDI QIDQ1155387

Michael H. Klapper, David DeBrota

Publication date: 1980

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0021-9991(80)90004-2

zbMATH Keywords

molecular structuresCaley-Menger determinantsproteins and polymersstructure building algorithm

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Other problems of combinatorial convexity (52A37) Molecular physics (81V55) Designs and configurations (05B99) General models, approaches, and methods in mechanics of particles and systems (70G99)

Related Items (2)

The theory and practice of distance geometry ⋮ A unified interpretation of stress in molecular systems

Cites Work

• Unnamed Item
• A novel approach to calculation of conformation: Distance geometry
• Rapid calculation of coordinates from distance matrices

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