文章基本信息

标题：Unsupervised determination of protein crystal structures
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作者：Ivan S. Ufimtsev ; Michael Levitt
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：2019
卷号：116
期号：22
页码：10813-10818
DOI：10.1073/pnas.1821512116
出版社：The National Academy of Sciences of the United States of America
摘要：We present a method for automatic solution of protein crystal structures. The method proceeds with a single initial model obtained, for instance, by molecular replacement (MR). If a good-quality search model is not available, as often is the case with MR of distant homologs, our method first can automatically screen a large pool of poorly placed models and single out promising candidates for further processing if there are any. We demonstrate its utility by solving a set of synthetic cases in the 2.9- to 3.45-Å resolution.
关键词：massively parallel ; unsupervised method ; protein crystal structure ; Bcl-xL