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OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides

[Image: see text] Hydrogen–deuterium exchange mass spectrometry (HDX/MS) is increasingly used to study the dynamics of protein conformation. Coupled to native MS, HDX can also characterize the conformations of oligonucleotides and their binding to cations, small molecules, and proteins. Data process...

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Detalles Bibliográficos
Autores principales: Largy, Eric, Ranz, Matthieu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10308331/
https://www.ncbi.nlm.nih.gov/pubmed/37310448
http://dx.doi.org/10.1021/acs.analchem.3c01321
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author Largy, Eric
Ranz, Matthieu
author_facet Largy, Eric
Ranz, Matthieu
author_sort Largy, Eric
collection PubMed
description [Image: see text] Hydrogen–deuterium exchange mass spectrometry (HDX/MS) is increasingly used to study the dynamics of protein conformation. Coupled to native MS, HDX can also characterize the conformations of oligonucleotides and their binding to cations, small molecules, and proteins. Data processing and visualization of native HDX/MS of oligonucleotides requires dedicated software solutions. OligoR is a web-browser-based application that addresses the specific needs of DNA HDX/MS and native MS experiments from raw data in an open format to visualization and export of results. Whole experiments spanning many time points can be processed in minutes for several mass-separated species. To access valuable folding dynamics information, we have developed a simple and robust approach to deconvolute bimodal isotope distributions, even when they are highly overlapping. This approach is based on modeling physically possible isotope distributions determined from chemical formulae and could be extended to any type of analyte (proteins, peptides, sugars, and small molecules). All results are presented in interactive data tables, and publication-quality figures can be generated, customized, and exported.
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spelling pubmed-103083312023-06-30 OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides Largy, Eric Ranz, Matthieu Anal Chem [Image: see text] Hydrogen–deuterium exchange mass spectrometry (HDX/MS) is increasingly used to study the dynamics of protein conformation. Coupled to native MS, HDX can also characterize the conformations of oligonucleotides and their binding to cations, small molecules, and proteins. Data processing and visualization of native HDX/MS of oligonucleotides requires dedicated software solutions. OligoR is a web-browser-based application that addresses the specific needs of DNA HDX/MS and native MS experiments from raw data in an open format to visualization and export of results. Whole experiments spanning many time points can be processed in minutes for several mass-separated species. To access valuable folding dynamics information, we have developed a simple and robust approach to deconvolute bimodal isotope distributions, even when they are highly overlapping. This approach is based on modeling physically possible isotope distributions determined from chemical formulae and could be extended to any type of analyte (proteins, peptides, sugars, and small molecules). All results are presented in interactive data tables, and publication-quality figures can be generated, customized, and exported. American Chemical Society 2023-06-13 /pmc/articles/PMC10308331/ /pubmed/37310448 http://dx.doi.org/10.1021/acs.analchem.3c01321 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Largy, Eric
Ranz, Matthieu
OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides
title OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides
title_full OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides
title_fullStr OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides
title_full_unstemmed OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides
title_short OligoR: A Native HDX/MS Data Processing Application Dedicated to Oligonucleotides
title_sort oligor: a native hdx/ms data processing application dedicated to oligonucleotides
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10308331/
https://www.ncbi.nlm.nih.gov/pubmed/37310448
http://dx.doi.org/10.1021/acs.analchem.3c01321
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