Molecular conformation search by distance matrix perturbations

DOI10.1007/s10910-004-1466-4zbMath1067.92064OpenAlexW2085483561WikidataQ57908764 ScholiaQ57908764MaRDI QIDQ2485885

Ioannis Z. Emiris, Theodoros G. Nikitopoulos

Publication date: 5 August 2005

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-004-1466-4

zbMATH Keywords

distance geometrysingular valuematrix perturbationlocal conformation search

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Eigenvalues, singular values, and eigenvectors (15A18) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (1)

Euclidean Distance Matrices and Applications

Uses Software

• LAPACK
• Matlab
• Scilab

Cites Work

• The best Euclidean fit to a given distance matrix in prescribed dimensions
• Shortest-path problems and molecular conformation
• Problems of distance geometry and convex properties of quadratic maps
• A geometric build-up algorithm for solving the molecular distance geometry problem with sparse distance data
• Distance geometry optimization for protein structures
• The Componentwise Distance to the Nearest Singular Matrix
• Computing Most Nearly Rank-Reducing Structured Matrix Perturbations
• The Euclidian Distance Matrix Completion Problem

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