The Molecule Problem: Exploiting Structure in Global Optimization

DOI10.1137/0805040zbMATH Open0844.05093OpenAlexW1975519273MaRDI QIDQ4862785FDOQ4862785

Authors: Bruce A. Hendrickson 

Publication date: 18 August 1996

Published in: SIAM Journal on Optimization (Search for Journal in Brave)

Full work available at URL: https://semanticscholar.org/paper/d19178d1850628aefc4b8cd75039c4f7782f8f42

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zbMATH Keywords

optimizationrigiditypenalty functioninteratomic distancesintermolecular distancesstructure of a moleculeX ray data

Mathematics Subject Classification ID

Decomposition methods (49M27) Graph theory (05C99) Distance geometry (51K99)

Cited In (46)

• An impossible combinatorial counting method in distance geometry
• Recent results on assigned and unassigned distance geometry with applications to protein molecules and nanostructures
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• The unassigned distance geometry problem
• A Riemannian dimension-reduced second-order method with application in sensor network localization
• Testing the planar straight-line realizability of 2-trees with prescribed edge lengths
• Hyperbolic smoothing and penalty techniques applied to molecular structure determination
• Hybrid spectral gradient method for the unconstrained minimization problem
• On the uniqueness of Euclidean distance matrix completions.
• Series parallel linkages
• Diagonally dominant programming in distance geometry
• Rigid versus unique determination of protein structures with geometric buildup
• Semidefinite programming for discrete optimization and matrix completion problems
• The discretizable molecular distance geometry problem
• Globally rigid circuits of the direction-length rigidity matroid
• Extending the geometric build-up algorithm for the molecular distance geometry problem
• Molecular distance geometry methods: from continuous to discrete
• Cuts, matrix completions and graph rigidity
• A geometric buildup algorithm for the solution of the distance geometry problem using least-squares approximation
• Connected rigidity matroids and unique realizations of graphs
• Generic unlabeled global rigidity
• An extension of the angular synchronization problem to the heterogeneous setting
• On the uniqueness of Euclidean distance matrix completions: the case of points in general position
• Global optimization for molecular conformation problems
• Minimum size highly redundantly rigid graphs in the plane
• An updated geometric build-up algorithm for solving the molecular distance geometry problems with sparse distance data
• The realizable extension problem and the weighted graph \((K _{3,3}, l)\)
• Generically globally rigid graphs have generic universally rigid frameworks
• Pebble game algorithms and sparse graphs
• Planar straight-line realizations of 2-trees with prescribed edge lengths
• Least-squares approximations in geometric buildup for solving distance geometry problems
• Title not available (Why is that?)
• A tree-structured covalent-Bond-driven molecular memetic algorithm for optimization of ring-deficient molecules
• A Branch‐and‐Prune algorithm for the Molecular Distance Geometry Problem
• Euclidean distance matrices and applications
• Assigned and unassigned distance geometry: applications to biological molecules and nanostructures
• Extremal families of redundantly rigid graphs in three dimensions
• LRA: local rigid averaging of stretchable non-rigid shapes
• Distance geometry algorithms in molecular modelling of polymer and composite systems.
• Euclidean distance matrix completion problems
• Stable camera motion estimation using convex programming
• Graph realizations associated with minimizing the maximum eigenvalue of the Laplacian
• Searching for spreads and packings
• Positive semidefinite relaxations for distance geometry problems.
• Theory of semidefinite programming for sensor network localization

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