A distance geometry program for determining the structures of small proteins and other macromolecules from nuclear magnetic resonance measurements of intramolecular ^ 1H-^ 1H proximities in solution

MaRDI QIDQ800251zbMATH OpenFDO

Authors T. F. Havel, Kurt Wüthrich

Publication date 1984

Published in Bulletin of Mathematical Biology (Search for Journal in Brave)

zbMATH Keywords

chirality constraintsDISGEOdistance measurementsmacromolecular conformationnuclear magnetic resonance measurementsshortest-path algorithmstructures of small proteinstriangle inequality limits

Mathematics Subject Classification ID

Distance geometry (51K99) Software, source code, etc. for problems pertaining to biology (92-04) Physiological, cellular and medical topics (92Cxx)

Cited in

(5)

• Calculation of coordinates from incomplete and incorrect distance data
• Rapid dynamic programming algorithms for RNA secondary structure
• Shortest-path problems and molecular conformation
• Minimal NMR distance information for rigidity of protein graphs
• Searching for spreads and packings

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