NMR assignment through linear programming

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

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


Nuclear Magnetic Resonance (NMR) Spectroscopy is the second most used technique (after X-ray crystallography) for structural determination of proteins. A computational challenge in this technique involves solving a discrete optimization problem that assigns the resonance frequency to each atom in the protein. This paper introduces LIAN (LInear programming Assignment for NMR), a novel linear programming formulation of the problem which yields state-of-the-art results in simulated and experimental datasets.

Original languageEnglish (US)
Pages (from-to)3-28
Number of pages26
JournalJournal of Global Optimization
Issue number1
StatePublished - May 2022

All Science Journal Classification (ASJC) codes

  • Control and Optimization
  • Applied Mathematics
  • Computer Science Applications
  • Management Science and Operations Research


  • Linear programming relaxation
  • NMR spectroscopy
  • Resonance assignment problem
  • Shortest path problem


Dive into the research topics of 'NMR assignment through linear programming'. Together they form a unique fingerprint.

Cite this