1. NMR assignment through linear programming.
- Author
-
Bravo-Ferreira, José F. S., Cowburn, David, Khoo, Yuehaw, and Singer, Amit
- Subjects
LINEAR programming ,NUCLEAR magnetic resonance ,X-ray crystallography ,CYTOSKELETAL proteins ,NUCLEAR magnetic resonance spectroscopy - Abstract
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. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF