Calculation of coordinates from incomplete and incorrect distance data

DOI10.1007/BF00944917zbMath0607.92008MaRDI QIDQ1086189

J. Schlitter

Publication date: 1987

Published in: ZAMP. Zeitschrift für angewandte Mathematik und Physik (Search for Journal in Brave)

zbMATH Keywords

distance geometrynuclear magnetic resonanceNMRmetric matrixcartesian coordinates from distancesprotein conformationsstable modified Gauss algorithm

Mathematics Subject Classification ID

Biophysics (92C05) Computational methods for problems pertaining to biology (92-08) Orthogonalization in numerical linear algebra (65F25)

Related Items (2)

Numerical Solution of the Controlled Rayleigh Nonlinear Oscillator by the Direct Spectral Method ⋮ Numerical Solution of the Controlled Rayleigh Nonlinear Oscillator by the Direct Spectral Method

Cites Work

• The theory and practice of distance geometry
• 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
• Solution of the embedding problem and decomposition of symmetric matrices.

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