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Computational Strategies and Challenges for Using Native Ion Mobility Mass Spectrometry in Biophysics and Structural Biology.
Allison, Timothy M; Barran, Perdita; Cianférani, Sarah; Degiacomi, Matteo T; Gabelica, Valérie; Grandori, Rita; Marklund, Erik G; Menneteau, Thomas; Migas, Lukasz G; Politis, Argyris; Sharon, Michal; Sobott, Frank; Thalassinos, Konstantinos; Benesch, Justin L P.
Afiliação
  • Allison TM; School of Physical and Chemical Sciences, Biomolecular Interaction Centre, University of Canterbury, Christchurch 8140, New Zealand.
  • Barran P; Michael Barber Centre for Collaborative Mass Spectrometry, Manchester Institute of Biotechnology, School of Chemistry, University of Manchester, Manchester M1 7DN, United Kingdom.
  • Cianférani S; Laboratoire de Spectrométrie de Masse BioOrganique (LSMBO), Université de Strasbourg, CNRS, IPHC UMR 7178, 67000 Strasbourg, France.
  • Degiacomi MT; Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom.
  • Gabelica V; University of Bordeaux, INSERM and CNRS, ARNA Laboratory, IECB site, 2 Rue Robert Escarpit, 33600 Pessac, France.
  • Grandori R; Department of Biotechnology and Biosciences, University of Milano-Bicocca, 20126, Milan, Italy.
  • Marklund EG; Department of Chemistry - BMC, Uppsala University, Box 576, 75123, Uppsala, Sweden.
  • Menneteau T; Division of Biosciences, Institute of Structural and Molecular Biology, University College of London, Gower Street, London WC1E 6BT, United Kingdom.
  • Migas LG; Michael Barber Centre for Collaborative Mass Spectrometry, Manchester Institute of Biotechnology, School of Chemistry, University of Manchester, Manchester M1 7DN, United Kingdom.
  • Politis A; Department of Chemistry, King's College London, 7 Trinity Street, London SE1 1DB, United Kingdom.
  • Sharon M; Department of Biomolecular Sciences, Weizmann Institute of Science, Rehovot 7610001, Israel.
  • Sobott F; Biomolecular & Analytical Mass Spectrometry, Department of Chemistry, University of Antwerp, 2020 Antwerp, Belgium.
  • Thalassinos K; School of Molecular and Cellular Biology, University of Leeds, Leeds LS2 9JT, United Kingdom.
  • Benesch JLP; Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds LS2 9JT, United Kingdom.
Anal Chem ; 92(16): 10872-10880, 2020 08 18.
Article em En | MEDLINE | ID: mdl-32667808
Native mass spectrometry (MS) allows the interrogation of structural aspects of macromolecules in the gas phase, under the premise of having initially maintained their solution-phase noncovalent interactions intact. In the more than 25 years since the first reports, the utility of native MS has become well established in the structural biology community. The experimental and technological advances during this time have been rapid, resulting in dramatic increases in sensitivity, mass range, resolution, and complexity of possible experiments. As experimental methods have improved, there have been accompanying developments in computational approaches for analyzing and exploiting the profusion of MS data in a structural and biophysical context. In this perspective, we consider the computational strategies currently being employed by the community, aspects of best practice, and the challenges that remain to be addressed. Our perspective is based on discussions within the European Cooperation in Science and Technology Action on Native Mass Spectrometry and Related Methods for Structural Biology (EU COST Action BM1403), which involved participants from across Europe and North America. It is intended not as an in-depth review but instead to provide an accessible introduction to and overview of the topic-to inform newcomers to the field and stimulate discussions in the community about addressing existing challenges. Our complementary perspective (http://dx.doi.org/10.1021/acs.analchem.9b05792) focuses on software tools available to help researchers tackle some of the challenges enumerated here.
Assuntos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Espectrometria de Massas / Biofísica / Biologia Computacional Tipo de estudo: Guideline / Qualitative_research Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Espectrometria de Massas / Biofísica / Biologia Computacional Tipo de estudo: Guideline / Qualitative_research Idioma: En Ano de publicação: 2020 Tipo de documento: Article