基于冷冻电镜图谱的原子结构建模的实际考量
Practical Considerations for Atomistic Structure Modeling with Cryo-EM Maps.
作者信息
Kim Doo Nam, Gront Dominik, Sanbonmatsu Karissa Y
机构信息
Computational Biology Team, Biological Science Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States.
Faculty of Chemistry, Biological and Chemical Research Center, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.
出版信息
J Chem Inf Model. 2020 May 26;60(5):2436-2442. doi: 10.1021/acs.jcim.0c00090. Epub 2020 May 18.
Abstract
We describe common approaches to atomistic structure modeling with single particle analysis derived cryo-EM maps. Several strategies for atomistic model building and atomistic model fitting methods are discussed, including selection criteria and implementation procedures. In covering basic concepts and caveats, this short perspective aims to help facilitate active discussion between scientists at different levels with diverse backgrounds.
摘要
我们描述了利用单颗粒分析得到的冷冻电镜图谱进行原子结构建模的常见方法。讨论了几种原子模型构建策略和原子模型拟合方法，包括选择标准和实施程序。在涵盖基本概念和注意事项时，这篇简短的观点文章旨在帮助促进不同背景、不同层次的科学家之间的积极讨论。
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