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.

中文翻译：

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通过线性规划进行 NMR 分配

核磁共振 (NMR) 光谱是用于蛋白质结构测定的第二大常用技术（仅次于 X 射线晶体学）。该技术的计算挑战涉及解决离散优化问题，该问题将共振频率分配给蛋白质中的每个原子。本文介绍了 LIAN（NMR 线性规划分配），这是一种新颖的线性规划问题公式，可在模拟和实验数据集中产生最先进的结果。