Computer, Electrical and Mathematical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
Genomics Proteomics Bioinformatics. 2013 Feb;11(1):29-33. doi: 10.1016/j.gpb.2012.12.003. Epub 2013 Jan 11.
Although three-dimensional protein structure determination using nuclear magnetic resonance (NMR) spectroscopy is a computationally costly and tedious process that would benefit from advanced computational techniques, it has not garnered much research attention from specialists in bioinformatics and computational biology. In this paper, we review recent advances in computational methods for NMR protein structure determination. We summarize the advantages of and bottlenecks in the existing methods and outline some open problems in the field. We also discuss current trends in NMR technology development and suggest directions for research on future computational methods for NMR.
尽管使用核磁共振（NMR）光谱学来确定三维蛋白质结构是一个计算成本高且繁琐的过程，需要先进的计算技术，但它并没有引起生物信息学和计算生物学领域专家的太多关注。在本文中，我们回顾了用于 NMR 蛋白质结构测定的计算方法的最新进展。我们总结了现有方法的优点和瓶颈，并概述了该领域的一些开放性问题。我们还讨论了 NMR 技术发展的当前趋势，并为未来 NMR 的计算方法研究提出了一些建议。
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