Issues in large-scale global molecular optimization

MaRDI QIDQ4370901zbMATH OpenFDO

Authors Jorge J. Moré, Zhijun Wu

Publication date 14 April 1998

zbMATH Keywords

biophysical chemistrydistance geometryglobal smoothingionic systemslarge scale molecular optimization problemsmolecular clustersprotein structuresquadratic programming

Mathematics Subject Classification ID

Numerical mathematical programming methods (65K05) Large-scale problems in mathematical programming (90C06) Quadratic programming (90C20) Applications of mathematical programming (90C90) Biophysics (92C05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited in

(7)

• Global optimization for molecular clusters using a new smoothing approach
• An optimization approach to the problem of protein structure prediction
• An updated geometric build-up algorithm for solving the molecular distance geometry problems with sparse distance data
• Global Continuation for Distance Geometry Problems
• Variational image inpainting
• The Molecule Problem: Exploiting Structure in Global Optimization
• A New Smoothing-Based Global Optimization Algorithm for Protein Conformation Problems

Describes a project that uses

Uses Software

• L-BFGS

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