A global optimization method for the molecular replacement problem in X-ray crystallography

DOI10.1007/s10107-005-0587-2zbMath1120.82310OpenAlexW1965688401MaRDI QIDQ1780962

Richard A. Tapia, Yin Zhang, George N. jun. Phillips, Diane C. Jamrog

Publication date: 14 June 2005

Published in: Mathematical Programming. Series A. Series B (Search for Journal in Brave)

Full work available at URL: http://hdl.handle.net/1911/101989

zbMATH Keywords

Global optimizationGlobal searchX-ray crystallographyMolecular replacement problemMulti-start local optimizationSurrogate function

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Statistical mechanics of crystals (82D25) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Uses Software

• X-PLOR
• CCP4
• MOLREP

Cites Work

• Sizing the BFGS and DFP updates: Numerical study
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