NMR assignment through linear programming

DOI10.1007/s10898-021-01004-3zbMath1491.90100arXiv2008.03641OpenAlexW3136439095MaRDI QIDQ2131136

David Cowburn, Amit Singer, Yuehaw Khoo, José F. S. Bravo Ferreira

Publication date: 25 April 2022

Published in: Journal of Global Optimization (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2008.03641

zbMATH Keywords

linear programming relaxationshortest path problemNMR spectroscopyresonance assignment problem

Mathematics Subject Classification ID

Integer programming (90C10) Linear programming (90C05) Discrete location and assignment (90B80)

Uses Software

• Gurobi
• CYANA
• BioMagResBank
• ARIAweb

Cites Work

• Semidefinite programming approach for the quadratic assignment problem with a sparse graph
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