MS SPIDOC

Commissioning the digital mass-filter/ion-trap module for the MS SPIDOC prototype

Florian Simke, Paul Fischer, Tomislav Damjanović, Alan Kádek, Thomas Kierspel, Kristina Lorenzen, Charlotte Uetrecht and Lutz Schweikhard

Journal of Instrumentation, 2023

DOI 10.1088/1748-0221/18/10/P10021

Theoretical and Biochemical: Advancing Protein Structure Investigations with Complementing Computations

M. N. Brodmerkel

Acta Universitatis Upsaliensis, 2023

PhD Thesis, URN: urn:nbn:se:uu:diva-500274

Formation and Characterisation of Polymetallic Rings in vacuo

Niklas Geue, Grigore A. Timco, George F. S. Whitehead, Eric J. L. McInnes, Neil A. Burton, Richard E. P. Winpenny, Perdita E. Barran

Nature Synthesis, 2023

https://doi.org/10.1038/s44160-023-00383-7

Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species.

Manuel David Peris-Díaz, Alexey Barkhanskiy, Ellen Liggett, Perdita Barran.

Chemical Communications, 2023

DOI: 10.1039/D2CC06559B

Rehydration Post-orientation: Investigating Field-Induced Structural Changes via Computational Rehydration

Maxim N. Brodmerkel, Emiliano De Santis, Carl Caleman & Erik G. Marklund.

The Protein Journal, 2023

DOI: 10.1007/s10930-023-10110-y

Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC

Thomas Kierspel, Alan Kadek, Perdita Barran, Bruno Bellina, Adi Bijedic, Maxim N. Brodmerkel, Jan Commandeur, Carl Caleman, Tomislav Damjanović, Ibrahim Dawod, Emiliano De Santis, Alexandros Lekkas, Kristina Lorenzen, Luis López Morillo, Thomas Mandl, Erik G. Marklund, Dimitris Papanastasiou, Lennart A. I. Ramakers, Lutz Schweikhard, Florian Simke, Anna Sinelnikova, Athanasios Smyrnakis, Nicusor Timneanu, Charlotte Uetrecht for MS SPIDOC Consortium. Paper in Forefront

Analytical and Bioanalytical Chemistry, 2023

DOI: 10.1007/s00216-023-04658-y

Disassembly Mechanisms and Energetics of Polymetallic Rings and Rotaxanes

Niklas Geue, Tom S. Bennett, Alexandra-Ana-Maria Arama, Lennart A. I. Ramakers, George F. S. Whitehead, Grigore A. Timco, P. B. Armentrout, Eric J. L. McInnes, Neil A. Burton, Richard E. P. Winpenny, and Perdita E. Barran.

Journal of the American Chemical Society, 2022

DOI: 10.1021/jacs.2c07522

Deciphering the antioxidative role of p53 against H2O2-induced DNA damage using ion mobility mass spectrometry

Manuel David Peris-Díaz, Artur Krężel and Perdita Barran.

ChemRxiv, 2022

DOI: 10.26434/chemrxiv-2022-f6mjt

Stability and conformational memory of electrosprayed and rehydrated bacteriophage MS2 virus coat proteins

Maxim N. Brodmerkel, Emiliano De Santis, Charlotte Uetrecht, Carl Caleman, Erik G. Marklund.

Current Research in Structural Biology, 2022

DOI: 0.1016/j.crstbi.2022.10

Electrospray ionization of native membrane proteins proceeds via a charge equilibration step

Hsin-Yung Yen, Mia L. Abramsson, Mark T. Agasid, Dilraj Lama, Joseph Gault, Idlir Liko, Margit Kaldmäe, Mihkel Saluri, Abdul Aziz Qureshi, Albert Suades, David Drew, Matteo T. Degiacomi, Erik G. Marklund, Timothy M. Allison, Carol V. Robinson and Michael Landreh.

RSC Advances, 2022

DOI: 10.1039/d2ra01282k

Simulations of a digital ion filter and a digital ion trap for heavy biomolecules

Florian Simke, Paul Fischer, Gerrit Marx, Lutz Schweikhard.

International Journal of Mass Spectrometry, 2022

DOI:10.1016/j.ijms.2021.116779

Charge Engineering Reveals the Roles of Ionizable Side Chains in Electrospray Ionization Mass Spectrometry

Mia L. Abramsson, Cagla Sahin, Jonathan T. S. Hopper, Rui M. M. Branca, Jens Danielsson, Mingming Xu, Shane A. Chandler, Nicklas Österlund, Leopold L. Ilag, Axel Leppert, Joana Costeira-Paulo, Lisa Lang, Kaare Teilum, Arthur Laganowsky, Justin L. P. Benesch, Mikael Oliveberg, Carol V. Robinson, Erik G. Marklund, Timothy M. Allison, Jakob R. Winther and Michael Landreh.

JACS 2021

DOI: 10.1021/jacsau.1c00458

Protein orientation in time-dependent electric fields: orientation before destruction

Anna Sinelnikova, Thomas Mandl, Harald Agelii, Oscar Grånäs, Erik G. Marklund, Carl Caleman and Emiliano De Santis.

Biophysical Journal, (120)17, 2021

DOI: 10.1016/j.bpj.2021.07.017

In a flash of light: X-ray free electron lasers meet native mass spectrometry

Alan Kadek, Kristina Lorenzen, Charlotte Uetrecht for MS SPIDOC consortium.

Drug Discovery Today: Technology 2021

DOI: 10.1016/j.ddtec.2021.07.0

‘Norovirus Superstar’

A comic-book take on a virus photoshoot.

doi:10.22003/XFEL.EU-COMIC-2021-001-EN

Download the comic from https://xfel.tind.io/record/2561

Reproducibility in the unfolding process of protein induced by an external electric field

Anna Sinelnikova, Thomas Mandl, Christofer Östlin, Oscar Grånäs, Maxim N. Brodmerkel, Erik G. Marklund and Carl Caleman

Chemical Science, 12, 2030-2038, 2021

DOI: 10.1039/D0SC06008A

Structural Heterogeneity in Single Particle Imaging Using X-ray Lasers

Thomas Mandl, Christofer Östlin, Ibrahim E. Dawod, Maxim N. Brodmerkel, Erik G. Marklund, Andrew V. Martin, Nicusor Timneanu, and Carl Caleman

The Journal of Physical Chemistry Letters, 11 (15), 6077-608, 2020

DOI: 10.1021/acs.jpclett.0c01144

Glycan-Induced Protein Dynamics in Human Norovirus P Dimers Depend on Virus Strain and Deamidation Status

Jasmin Dülfer, Hao Yan, Maxim N. Brodmerkel, Robert Creutznacher, Alvaro Mallagaray, Thomas Peters, Carl Caleman, Erik G. Marklund and Charlotte Uetrecht.

Molecules, 26(8), 2125, 2021

DOI: 10.3390/molecules26082125

The XBI BioLab for life science experiments at the European XFEL.

Huijong Han, Ekatarina Round, Robin Schubert, Yasmin Gül, Jana Makroczyová, Domingo Meza, Philipp Heuser, Martin Aepfelbacher, Imrich Barák, Christian Betzel, Petra Fromme, Inari Kursula, Poul Nissen, Elena Tereschenko, Joachim Schulz, Charlotte Uetrecht, Jozef Ulicný, Matthias Wilmanns, Janos Hajdu, Victor S. Lamzin and Kristina Lorenzen.

Journal of Applied Chrystallography,54(1), 2021

DOI: 10.1107/S1600576720013989

Characterization of native protein structure with ion mobility mass spectrometry, multiplexed fragmentation strategies and multivariant analysis.

Rachelle Black, Alexey Barkhanskiy, Lennart A. I. Ramakers, Alina Theisen, Jeffery M. Brown, Bruno Bellina, Drupad Trivedi and Perdita E. Barran.

International Journal of Mass Spectroscopy, 2021

DOI: 10.1016/j.ijms.2021.116588

Interplay between chromophore binding and domain assembly by the B12-dependent photoreceptor protein, CarH.

Inês S. Camacho, Rachelle Black, Derren J. Heyes; Linus O. Johannissen, Lennart A.I. Ramakers, Bruno Bellina, Perdita E. Barran, Sam Hay, and Alex R. Jones.

Chemical Science, 2021

DOI: 10.1039/D1SC00522G

Chapter 10: Photoactivation and Dissociation in Biomolecular Mass Spectrometry.

Rachelle Black, Perdita E. Barran and Lennart A. I. Ramakers.

Advanced Fragmentation Methods in Biomolecular Mass Spectrometry: Probing Primary and Higher Order Structure with Electrons, Photons and Surfaces. Frederik Lermyte (ed.) 2020.

DOI: 10.1039/9781839161056-00235