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http://hdl.handle.net/1942/27143
Title: | POPPeT: a New Method to Predict the Protection Factor of Backbone Amide Hydrogens | Authors: | CLAESEN, Jurgen Politis, Argyris |
Issue Date: | 2018 | Source: | JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 30(1), p. 67-76 | Abstract: | Abstract. Hydrogen exchange (HX) has become an important tool to monitor protein structure and dynamics. The interpretation of HX data with respect to protein structure requires understanding of the factors that influence exchange. Simulated protein structures can be validated by comparing experimental deuteration profiles with the profiles derived from the modeled protein structure. To do this, we propose here a new method, POPPeT, for protection factor prediction based on protein motions that enable HX. By comparing POPPeT with two existing methods, the phenomenological approximation and COREX, we show enhanced predictability measured at both protection factor and deuteration level. This method can be subsequently used by modeling strategies for protein structure predictions. | Notes: | Politis, A (reprint author), Kings Coll London, Dept Chem, 7 Trinity St, London SE1 1DB, England. argyris.politis@kcl.ac.uk | Keywords: | HDX-MS; Protein structure; Protection factor | Document URI: | http://hdl.handle.net/1942/27143 | ISSN: | 1044-0305 | e-ISSN: | 1879-1123 | DOI: | 10.1007/s13361-018-2068-x | ISI #: | 000454913600009 | Rights: | This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http:// creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2020 |
Appears in Collections: | Research publications |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Claesen-Politis2018 -POPPeT.pdf | Published version | 1.58 MB | Adobe PDF | View/Open |
supplementary material-POPPeT.pdf | Supplementary material | 146.22 kB | Adobe PDF | View/Open |
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