Name
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. |
Year | DOI | Venue |
|---|---|---|
2022 | 10.1007/s10898-021-01004-3 | Journal of Global Optimization |
Keywords | DocType | Volume |
NMR spectroscopy, Shortest path problem, Resonance assignment problem, Linear programming relaxation | Journal | 83 |
Issue | ISSN | Citations |
1 | 0925-5001 | 0 |
PageRank | References | Authors |
0.34 | 8 | 4 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Jose F. S. Bravo-Ferreira | 1 | 0 | 0.34 |
| David Cowburn | 2 | 0 | 0.34 |
| Yuehaw Khoo | 3 | 32 | 6.04 |
| A. Singer | 4 | 695 | 52.77 |