Deconvolution of ion mobility mass spectrometry arrival time distributions using a genetic algorithm approach: Application to α1-antitrypsin peptide binding

Deconvolution of ion mobility mass spectrometry arrival time distributions using a genetic... Article history: Ion mobility mass spectrometry (IM-MS) is a fast and sample-efficient method for analysing the gas phase Received 2 August 2017 conformation of proteins and protein complexes. Subjecting proteins to increased collision energies prior Received in revised form to ion mobility separation can directly probe their unfolding behaviour. Recent work in the field has 19 December 2017 utilised this approach to evaluate the effect of small ligand binding upon protein stability, and to screen Accepted 5 January 2018 compounds for drug discovery. Its general applicability for high-throughput screening will, however, Available online 31 January 2018 depend upon new analytical methods to make the approach scalable. Here we describe a fully automated program, called Benthesikyme, for summarising the ion mobility results from such experiments. The Keywords: program automatically creates collision induced unfolding (CIU) fingerprints and summary plots that Ion mobility mass spectrometry capture the increase in collision cross section and the increase in conformational flexibility of proteins Travelling wave ion mobility during unfolding. We also describe a program, based on a genetic algorithm, for the deconvolution of Collision induced dissociation Software’ Data processing arrival time distributions from the CIU data. This multicomponent analysis method was developed to Genetic algorithm http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png International Journal of Mass Spectrometry Elsevier

Deconvolution of ion mobility mass spectrometry arrival time distributions using a genetic algorithm approach: Application to α1-antitrypsin peptide binding

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
1387-3806
eISSN
1873-2798
D.O.I.
10.1016/j.ijms.2018.01.008
Publisher site
See Article on Publisher Site

Abstract

Article history: Ion mobility mass spectrometry (IM-MS) is a fast and sample-efficient method for analysing the gas phase Received 2 August 2017 conformation of proteins and protein complexes. Subjecting proteins to increased collision energies prior Received in revised form to ion mobility separation can directly probe their unfolding behaviour. Recent work in the field has 19 December 2017 utilised this approach to evaluate the effect of small ligand binding upon protein stability, and to screen Accepted 5 January 2018 compounds for drug discovery. Its general applicability for high-throughput screening will, however, Available online 31 January 2018 depend upon new analytical methods to make the approach scalable. Here we describe a fully automated program, called Benthesikyme, for summarising the ion mobility results from such experiments. The Keywords: program automatically creates collision induced unfolding (CIU) fingerprints and summary plots that Ion mobility mass spectrometry capture the increase in collision cross section and the increase in conformational flexibility of proteins Travelling wave ion mobility during unfolding. We also describe a program, based on a genetic algorithm, for the deconvolution of Collision induced dissociation Software’ Data processing arrival time distributions from the CIU data. This multicomponent analysis method was developed to Genetic algorithm

Journal

International Journal of Mass SpectrometryElsevier

Published: Mar 1, 2018

References

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