Convex hulls of orbits and orientations of a moving protein domain

DOI10.1007/S00454-008-9076-8zbMATH Open1194.92027arXiv0712.3777OpenAlexW2131878561MaRDI QIDQ848852FDOQ848852

Authors: Marco Longinetti, Luca Sgheri, Frank Sottile 

Publication date: 23 February 2010

Published in: Discrete \& Computational Geometry (Search for Journal in Brave)

Abstract: We study the facial structure and Carath'eodory number of the convex hull of an orbit of the group of rotations in R^3 acting on the space of pairs of anisotropic symmetric 3 imes 3 tensors. This is motivated by the problem of determining the structure of some proteins in aqueous solution.

Full work available at URL: https://arxiv.org/abs/0712.3777

Recommendations

• Convex geometry of orbits
• ORBITOPES
• Conformational freedom of proteins and the maximal probability of sets of orientations
• Reconstruction of orientations of a moving protein domain from paramagnetic data
• Semidefinite Descriptions of the Convex Hull of Rotation Matrices

zbMATH Keywords

representationscompact groupmagnetic susceptibility tensorCarathéodory number

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Compact groups (22C05) Biophysics (92C05) General convexity (52A99)

Cites Work

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• The quadratic moment problem for the unit circle and unit disk
• Uniqueness and degeneracy in the localization of rigid structural elements in paramagnetic proteins
• Reconstruction of orientations of a moving protein domain from paramagnetic data
• Efficient determination of the most favoured orientations of protein domains from paramagnetic NMR data
• Generalizations of a theorem of Carathéodory

Cited In (5)

• ORBITOPES
• Semidefinite Descriptions of the Convex Hull of Rotation Matrices
• Looking for central tendencies in the conformational freedom of proteins using NMR measurements
• Conformational freedom of proteins and the maximal probability of sets of orientations
• Barycenters of points in polytope skeleta

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