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DOI | 10.1038/s41467-017-00577-6 |
Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index | |
Orlando, Gabriele1,2; Raimondi, Daniele3; Vranken, Wim F.1,2,4 | |
2019-06-07 | |
发表期刊 | NATURE COMMUNICATIONS
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ISSN | 2041-1723 |
出版年 | 2019 |
卷号 | 10 |
文章类型 | Article |
语种 | 英语 |
国家 | Belgium |
英文摘要 | Chemical shifts (CS) are determined from NMR experiments and represent the resonance frequency of the spin of atoms in a magnetic field. They contain a mixture of information, encompassing the in-solution conformations a protein adopts, as well as the movements it performs. Due to their intrinsically multi-faceted nature, CS are difficult to interpret and visualize. Classical approaches for the analysis of CS aim to extract specific protein-related properties, thus discarding a large amount of information that cannot be directly linked to structural features of the protein. Here we propose an autoencoder-based method, called ShiftCrypt, that provides a way to analyze, compare and interpret CS in their native, multidimensional space. We show that ShiftCrypt conserves information about the most common structural features. In addition, it can be used to identify hidden similarities between diverse proteins and peptides, and differences between the same protein in two different binding states. |
领域 | 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000470656800019 |
WOS关键词 | PROTEIN SECONDARY STRUCTURE ; AMINO-ACIDS ; PROPENSITIES ; C-13 |
WOS类目 | Multidisciplinary Sciences |
WOS研究方向 | Science & Technology - Other Topics |
URL | 查看原文 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/203433 |
专题 | 资源环境科学 |
作者单位 | 1.ULB VUB, Interuniv Inst Bioinformat Brussels, B-1050 Brussels, Belgium; 2.Vrije Univ Brussel, Struct Biol Brussels, B-1050 Brussels, Belgium; 3.Katholieke Univ Leuven, ESAT STADIUS, B-3001 Leuven, Belgium; 4.VIB, Ctr Struct Biol, B-1050 Brussels, Belgium |
推荐引用方式 GB/T 7714 | Orlando, Gabriele,Raimondi, Daniele,Vranken, Wim F.. Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index[J]. NATURE COMMUNICATIONS,2019,10. |
APA | Orlando, Gabriele,Raimondi, Daniele,&Vranken, Wim F..(2019).Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index.NATURE COMMUNICATIONS,10. |
MLA | Orlando, Gabriele,et al."Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index".NATURE COMMUNICATIONS 10(2019). |
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