NMR assignment through linear programming

被引：0

作者：

José F. S. Bravo-Ferreira

David Cowburn

Yuehaw Khoo

Amit Singer

机构：

[1] PACM,Department of Biochemistry

[2] Princeton University,Departments of Physiology and Biophysics

[3] Albert Einstein College of Medicine,Department of Statistics

[4] Albert Einstein College of Medicine,Department of Mathematics and PACM

[5] University of Chicago,undefined

[6] Princeton University,undefined

来源：

Journal of Global Optimization | 2022年 / 83卷

关键词：

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

D O I：

暂无

中图分类号：

学科分类号：

摘要：

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.

引用

页码：3 / 28

页数：25

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