Marklunds grupp

Native Mass Spectrometry Captures the Conformational Plasticity of Proteins with Low-Complexity Domains

Osterholz, Hannah; Stevens, Alexander; Abramsson, Mia L.; Lama, Dilraj et al.

Ingår i JACS Au, s. 281-290, 2025

• DOI för Native Mass Spectrometry Captures the Conformational Plasticity of Proteins with Low-Complexity Domains
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Engineering cardiolipin binding to an artificial membrane protein reveals determinants for lipid-mediated stabilization

Abramsson, Mia L.; Corey, Robin A.; Skerle, Jan L.; Persson, Louise et al.

Ingår i eLIFE, 2025

• DOI för Engineering cardiolipin binding to an artificial membrane protein reveals determinants for lipid-mediated stabilization

Dipole orientation of hydrated gas phase proteins

Agelii, Harald; Jakobsson, Ellen L. S.; De Santis, Emiliano; Elfrink, Gideon et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, 2025

• DOI för Dipole orientation of hydrated gas phase proteins
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Structural stability of chromophore-grafted Ubiquitin mutants in vacuum

De Santis, Emiliano; Mandl, Thomas; Kung, Jocky C. K.; Huynh, Khon et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, 2025

• DOI för Structural stability of chromophore-grafted Ubiquitin mutants in vacuum
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High-Performance Molecular Dynamics Simulations for Native Mass Spectrometry of Large Protein Complexes with the Fast Multipole Method

Persson, Louise; Sahin, Cagla; Landreh, Michael; Marklund, Erik

Ingår i Analytical Chemistry, s. 15023-15030, 2024

• DOI för High-Performance Molecular Dynamics Simulations for Native Mass Spectrometry of Large Protein Complexes with the Fast Multipole Method
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Charging of DNA Complexes in Positive-Mode Native Electrospray Ionization Mass Spectrometry

Abramsson, Mia L.; Persson, Louise J.; Sobott, Frank; Marklund, Erik et al.

Ingår i Journal of the American Society for Mass Spectrometry, s. 3157-3162, 2024

• DOI för Charging of DNA Complexes in Positive-Mode Native Electrospray Ionization Mass Spectrometry
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Emergence of fractal geometries in the evolution of a metabolic enzyme

Sendker, Franziska L.; Lo, Yat Kei; Heimerl, Thomas; Bohn, Stefan et al.

Ingår i Nature, s. 894-900, 2024

• DOI för Emergence of fractal geometries in the evolution of a metabolic enzyme
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Enhanced EMC-Advantages of partially known orientations in x-ray single particle imaging

Wollter, August; De Santis, Emiliano; Ekeberg, Tomas; Marklund, Erik G. et al.

Ingår i Journal of Chemical Physics, 2024

• DOI för Enhanced EMC-Advantages of partially known orientations in x-ray single particle imaging
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Collision induced unfolding and molecular dynamics simulations of norovirus capsid dimers reveal strain-specific stability profiles

Brodmerkel, Maxim N.; Thiede, Lars; De Santis, Emiliano; Uetrecht, Charlotte et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 13094-13105, 2024

• DOI för Collision induced unfolding and molecular dynamics simulations of norovirus capsid dimers reveal strain-specific stability profiles

Mass Spectrometry of RNA-Binding Proteins during Liquid-Liquid Phase Separation Reveals Distinct Assembly Mechanisms and Droplet Architectures

Sahin, Cagla; Motso, Aikaterini; Gu, Xinyu; Feyrer, Hannes et al.

Ingår i Journal of the American Chemical Society, s. 10659-10668, 2023

• DOI för Mass Spectrometry of RNA-Binding Proteins during Liquid-Liquid Phase Separation Reveals Distinct Assembly Mechanisms and Droplet Architectures
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Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC

Kierspel, Thomas; Kadek, Alan; Barran, Perdita; Bellina, Bruno et al.

Ingår i Analytical and Bioanalytical Chemistry, s. 4209-4220, 2023

• DOI för Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC
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Liquid-Liquid Phase Separation Primes Spider Silk Proteins for Fiber Formation via a Conditional Sticker Domain

Leppert, Axel; Chen, Gefei; Lama, Dilraj; Sahin, Cagla et al.

Ingår i Nano Letters, s. 5836-5841, 2023

• DOI för Liquid-Liquid Phase Separation Primes Spider Silk Proteins for Fiber Formation via a Conditional Sticker Domain
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Rehydration Post-orientation: Investigating Field-Induced Structural Changes via Computational Rehydration

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

Ingår i The Protein Journal, s. 205-218, 2023

• DOI för Rehydration Post-orientation: Investigating Field-Induced Structural Changes via Computational Rehydration
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Engineered Aldolases Catalyzing Stereoselective Aldol Reactions Between Aryl-Substituted Ketones and Aldehydes

Cornelius Chukwu, Eugenia; Bartl, Michael; Persson, Louise; Xiong, Ruisheng et al.

Ingår i Catalysis Science & Technology, s. 4978-4987, 2023

• DOI för Engineered Aldolases Catalyzing Stereoselective Aldol Reactions Between Aryl-Substituted Ketones and Aldehydes
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Structural Basis for Dityrosine-Mediated Inhibition of α-Synuclein Fibrillization

Sahin, Cagla; Østerlund, Eva Christina; Österlund, Nicklas; Costeira-Paulo, Joana et al.

Ingår i Journal of the American Chemical Society, s. 11949-11954, 2022

• DOI för Structural Basis for Dityrosine-Mediated Inhibition of α-Synuclein Fibrillization
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Complementing machine learning‐based structure predictions with native mass spectrometry

Allison, Timothy M.; Degiacomi, Matteo T.; Marklund, Erik; Jovine, Luca et al.

Ingår i Protein Science, 2022

• DOI för Complementing machine learning‐based structure predictions with native mass spectrometry
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Stability and conformational memory of electrosprayed and rehydrated bacteriophage MS2 virus coat proteins

Brodmerkel, Maxim N.; De Santis, Emiliano; Uetrecht, Charlotte; Caleman, Carl et al.

Ingår i Current Research in Structural Biology, s. 338-348, 2022

• DOI för Stability and conformational memory of electrosprayed and rehydrated bacteriophage MS2 virus coat proteins
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Mass Spectrometry and Machine Learning Reveal Determinants of Client Recognition by Antiamyloid Chaperones

Osterlund, Nicklas; Vosselman, Thibault; Leppert, Axel; Graslund, Astrid et al.

Ingår i Molecular & Cellular Proteomics, 2022

• DOI för Mass Spectrometry and Machine Learning Reveal Determinants of Client Recognition by Antiamyloid Chaperones
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Electrospray ionization of native membrane proteins proceeds via a charge equilibration step

Yen, Hsin-Yung; Abramsson, Mia L.; Agasid, Mark T.; Lama, Dilraj et al.

Ingår i RSC Advances, s. 9671-9680, 2022

• DOI för Electrospray ionization of native membrane proteins proceeds via a charge equilibration step
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Charge Engineering Reveals the Roles of Ionizable Side Chains in Electrospray Ionization Mass Spectrometry

Abramsson, Mia L.; Sahin, Cagla; Hopper, Jonathan T. S.; Branca, Rui M. M. et al.

Ingår i JACS Au, s. 2385-2393, 2021

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

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

Sinelnikova, Anna; Mandl, Thomas; Agelii, Harald; Grånäs, Oscar et al.

Ingår i Biophysical Journal, s. 3709-3717, 2021

• DOI för Protein orientation in time-dependent electric fields: orientation before destruction
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Reproducibility in the unfolding process of protein induced by an external electric field

Sinelnikova, Anna; Mandl, Thomas; Östlin, Christofer; Grånäs, Oscar et al.

Ingår i Chemical Science, s. 2030-2038, 2021

• DOI för Reproducibility in the unfolding process of protein induced by an external electric field
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Ion mobility-mass spectrometry shows stepwise protein unfolding under alkaline conditions

Sahin, Cagla; Österlund, Nicklas; Leppert, Axel; Johansson, Jan et al.

Ingår i Chemical Communications, s. 1450-1453, 2021

• DOI för Ion mobility-mass spectrometry shows stepwise protein unfolding under alkaline conditions
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Glycan-Induced Protein Dynamics in Human Norovirus P Dimers Depend on Virus Strain and Deamidation Status

Duelfer, Jasmin; Yan, Hao; Brodmerkel, Maxim N.; Creutznacher, Robert et al.

Ingår i Molecules, 2021

• DOI för Glycan-Induced Protein Dynamics in Human Norovirus P Dimers Depend on Virus Strain and Deamidation Status
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CCS for Modelling 3D Structures

Marklund, Erik G.; Degiacomi, Matteo T.; Politis, Argyris; Landreh, Michael

Ingår i Ion Mobility-Mass Spectrometry, s. 183-205, Royal Society of Chemistry, 2021

• DOI för CCS for Modelling 3D Structures

Software Requirements for the Analysis and Interpretation of Native Ion Mobility Mass Spectrometry Data

Allison, Timothy M.; Barran, Perdita; Benesch, Justin L. P.; Cianférani, Sarah et al.

Ingår i Analytical Chemistry, s. 10881-10890, 2020

• DOI för Software Requirements for the Analysis and Interpretation of Native Ion Mobility Mass Spectrometry Data

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. et al.

Ingår i Analytical Chemistry, s. 10872-10880, 2020

• DOI för Computational Strategies and Challenges for Using Native Ion Mobility Mass Spectrometry in Biophysics and Structural Biology

A hydrophobic ratchet entrenches molecular complexes

Hochberg, Georg K. A.; Liu, Yang; Marklund, Erik; Metzger, Brian P. H. et al.

Ingår i Nature, s. 503-508, 2020

• DOI för A hydrophobic ratchet entrenches molecular complexes

Predicting the Shapes of Protein Complexes through Collision Cross Section Measurements and Database Searches

Landreh, Michael; Sahin, Cagla; Gault, Joseph; Sadeghi, Samira et al.

Ingår i Analytical Chemistry, s. 12297-12303, 2020

• DOI för Predicting the Shapes of Protein Complexes through Collision Cross Section Measurements and Database Searches

Structural Heterogeneity in Single Particle Imaging Using X-ray Lasers

Mandl, Thomas; Östlin, Christofer; Dawod, Ibrahim E.; Brodmerkel, Maxim N. et al.

Ingår i The Journal of Physical Chemistry Letters, s. 6077-6083, 2020

• DOI för Structural Heterogeneity in Single Particle Imaging Using X-ray Lasers
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MkVsites: A tool for creating GROMACS virtual sites parameters to increase performance in all-atom molecular dynamics simulations.

Larsson, Per; Kneiszl, Rosita C.; Marklund, Erik

Ingår i Journal of Computational Chemistry, s. 1564-1569, 2020

• DOI för MkVsites: A tool for creating GROMACS virtual sites parameters to increase performance in all-atom molecular dynamics simulations.

Weighing-up protein dynamics: the combination of native mass spectrometry and molecular dynamics simulations

Marklund, Erik; Benesch, Justin L. P.

Ingår i Current opinion in structural biology, s. 50-58, 2019

• DOI för Weighing-up protein dynamics: the combination of native mass spectrometry and molecular dynamics simulations
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Gas-Phase Collisions with Trimethylamine-N-Oxide Enable Activation-Controlled Protein Ion Charge Reduction

Kaldmäe, Margit; Österlund, Nicklas; Lianoudaki, Danai; Sahin, Cagla et al.

Ingår i Journal of the American Society for Mass Spectrometry, s. 1385-1388, 2019

• DOI för Gas-Phase Collisions with Trimethylamine-N-Oxide Enable Activation-Controlled Protein Ion Charge Reduction
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A strategy for the identification of protein architectures directly from ion mobility mass spectrometry data reveals stabilizing subunit interactions in light harvesting complexes

Kaldmae, Margit; Sahin, Cagla; Saluri, Mihkel; Marklund, Erik et al.

Ingår i Protein Science, s. 1024-1030, 2019

• DOI för A strategy for the identification of protein architectures directly from ion mobility mass spectrometry data reveals stabilizing subunit interactions in light harvesting complexes
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Fundamentals of ion mobility spectrometry

Gabelica, Valérie; Marklund, Erik

Ingår i Current opinion in chemical biology, s. 51-59, 2018

• DOI för Fundamentals of ion mobility spectrometry

Bringing Molecular Dynamics and Ion-Mobility Spectrometry Closer Together: Shape Correlations, Structure-Based Predictors, and Dissociation

Kulesza, Alexander; Marklund, Erik; MacAleese, Luke; Chirot, Fabien et al.

Ingår i Journal of Physical Chemistry B, s. 8317-8329, 2018

• DOI för Bringing Molecular Dynamics and Ion-Mobility Spectrometry Closer Together: Shape Correlations, Structure-Based Predictors, and Dissociation

Structural and functional aspects of the interaction partners of the small heat-shock protein in Synechocystis

Marklund, Erik G.; Zhang, Yichen; Basha, Eman; Benesch, Justin L P et al.

Ingår i Cell stress & chaperones (Print), s. 723-732, 2018

• DOI för Structural and functional aspects of the interaction partners of the small heat-shock protein in Synechocystis
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Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions.

Hochberg, Georg K A; Shepherd, Dale A; Marklund, Erik G.; Santhanagoplan, Indu et al.

Ingår i Science, s. 930-935, 2018

• DOI för Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions.

Mass Spectrometry Reveals the Direct Action of a Chemical Chaperone

Gault, Joseph; Lianoudaki, Danai; Kaldmäe, Margit; Kronqvist, Nina et al.

Ingår i The Journal of Physical Chemistry Letters, s. 4082-4086, 2018

• DOI för Mass Spectrometry Reveals the Direct Action of a Chemical Chaperone
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Lipids Shape the Electron Acceptor-Binding Site of the Peripheral Membrane Protein Dihydroorotate Dehydrogenase

Costeira-Paulo, Joana; Gault, Joseph; Popova, Gergana; Ladds, Marcus J G W et al.

Ingår i Cell Chemical Biology, s. 309-317, 2018

• DOI för Lipids Shape the Electron Acceptor-Binding Site of the Peripheral Membrane Protein Dihydroorotate Dehydrogenase
• Ladda ner fulltext (pdf) av Lipids Shape the Electron Acceptor-Binding Site of the Peripheral Membrane Protein Dihydroorotate Dehydrogenase

Quantitative mass imaging of single biological macromolecules

Young, Gavin; Hundt, Nikolas; Cole, Daniel; Fineberg, Adam et al.

Ingår i Science, s. 423-427, 2018

• DOI för Quantitative mass imaging of single biological macromolecules

Effects of Detergent Micelles on Lipid Binding to Proteins in Electrospray Ionization Mass Spectrometry

Landreh, Michael; Costeira-Paulo, Joana; Gault, Joseph; Marklund, Erik et al.

Ingår i Analytical Chemistry, s. 7425-7430, 2017

• DOI för Effects of Detergent Micelles on Lipid Binding to Proteins in Electrospray Ionization Mass Spectrometry

Controlling Protein Orientation in Vacuum Using Electric Fields

Marklund, Erik; Ekeberg, Tomas; Moog, Mathieu; Benesch, Justin L. P. et al.

Ingår i The Journal of Physical Chemistry Letters, s. 4540-4544, 2017

• DOI för Controlling Protein Orientation in Vacuum Using Electric Fields
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Integrating mass spectrometry with MD simulations reveals the role of lipids in Na+/H+ antiporters

Landreh, Michael; Marklund, Erik G; Uzdavinys, Povilas; Degiacomi, Matteo T. et al.

Ingår i Nature Communications, 2017

• DOI för Integrating mass spectrometry with MD simulations reveals the role of lipids in Na+/H+ antiporters
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Mass spectrometry captures structural intermediates in protein fiber self-assembly

Landreh, Michael; Andersson, Marlene; Marklund, Erik G.; Jia, Qiupin et al.

Ingår i Chemical Communications, s. 3319-3322, 2017

• DOI för Mass spectrometry captures structural intermediates in protein fiber self-assembly