Investigation of Charge-State-Dependent Compaction of Protein Ions with Native Ion Mobility–Mass Spectrometry and Theory

Protons Are Fast and Smart; Proteins Are Slow and Dumb: On the Relationship of Electrospray Ionization Charge States and Conformations

(2021) Shannon A. Raab et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Protein Structure Prediction with Mass Spectrometry Data

(2021) Sarah E. Biehn et al.   Annual Review of Physical Chemistry

Propagating Error through Traveling-Wave Ion Mobility Calibration

(2021) Alexis N. Edwards et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Rapid Determination of Activation Energies for Gas-Phase Protein Unfolding and Dissociation in a Q-IM-ToF Mass Spectrometer

(2020) Micah T. Donor et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Structure Relaxation Approximation (SRA) for Elucidation of Protein Structures from Ion Mobility Measurements

(2019) Christian Bleiholder et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Protein Ions Generated by Native Electrospray Ionization: Comparison of Gas Phase, Solution, and Crystal Structures

(2019) Maryam Bakhtiari et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational insights into compaction of gas-phase protein and protein complex ions in native ion mobility-mass spectrometry

(2019) Amber D. Rolland et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Testing the Robustness of Solution Force Fields for MD Simulations on Gaseous Protein Ions

(2019) Justin H. Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Collision-Induced Unfolding Is Sensitive to the Polarity of Proteins and Protein Complexes

(2019) Seoyeon Hong et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Electrospray Ionization of Polypropylene Glycol: Rayleigh-Charged Droplets, Competing Pathways, and Charge State-Dependent Conformations

(2018) Quentin Duez et al.   ANALYTICAL CHEMISTRY

Fundamentals of ion mobility spectrometry

(2018) Valérie Gabelica et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Collision induced unfolding of isolated proteins in the gas phase: past, present, and future

(2018) Sugyan M Dixit et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Ion Mobility of Proteins in Nitrogen Gas: Effects of Charge State, Charge Distribution, and Structure

(2018) Daniele Canzani et al.   JOURNAL OF PHYSICAL CHEMISTRY A

How to run molecular dynamics simulations on electrospray droplets and gas phase proteins: Basic guidelines and selected applications

(2018) Lars Konermann et al.   METHODS

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

(2018) Alexander Kulesza et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulations on Gas-Phase Proteins with Mobile Protons: Inclusion of All-Atom Charge Solvation

(2017) Lars Konermann   JOURNAL OF PHYSICAL CHEMISTRY B

Native-Like and Denatured Cytochrome c Ions Yield Cation-to-Anion Proton Transfer Reaction Products with Similar Collision Cross-Sections

(2017) Kenneth J. Laszlo et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Collidoscope: An Improved Tool for Computing Collisional Cross-Sections with the Trajectory Method

(2017) Simon A. Ewing et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Compaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry

(2017) Massimiliano Porrini et al.   ACS Central Science

Cryogenic Ion Mobility-Mass Spectrometry: Tracking Ion Structure from Solution to the Gas Phase

(2016) Kelly A. Servage et al.   ACCOUNTS OF CHEMICAL RESEARCH

Ion mobility mass spectrometry of peptide, protein, and protein complex ions using a radio-frequency confining drift cell

(2016) Samuel J. Allen et al.   ANALYST

Mechanism of Protein Supercharging by Sulfolane and m-Nitrobenzyl Alcohol: Molecular Dynamics Simulations of the Electrospray Process

(2016) Haidy Metwally et al.   ANALYTICAL CHEMISTRY

Retention of Native Protein Structures in the Absence of Solvent: A Coupled Ion Mobility and Spectroscopic Study

(2016) Jongcheol Seo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Collision-Induced Dissociation of Electrosprayed Protein Complexes: An All-Atom Molecular Dynamics Model with Mobile Protons

(2016) Vlad Popa et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Are Charge-State Distributions a Reliable Tool Describing Molecular Ensembles of Intrinsically Disordered Proteins by Native MS?

(2016) Antonino Natalello et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

ProteinVolume: calculating molecular van der Waals and void volumes in proteins

(2015) Calvin R Chen et al.   BMC BIOINFORMATICS

Release of Native-like Gaseous Proteins from Electrospray Droplets via the Charged Residue Mechanism: Insights from Molecular Dynamics Simulations

(2015) Robert G. McAllister et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How Closely Related Are Conformations of Protein Ions Sampled by IM-MS to Native Solution Structures?

(2015) Shu-Hua Chen et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Gas molecule scattering & ion mobility measurements for organic macro-ions in He versus N2 environments

(2015) Carlos Larriba-Andaluz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Collision Cross Sections for Structural Proteomics

(2015) Erik G. Marklund et al.   STRUCTURE

Collisional and Coulombic Unfolding of Gas-Phase Proteins: High Correlation to Their Domain Structures in Solution

(2014) Yueyang Zhong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Surface Induced Dissociation Yields Quaternary Substructure of Refractory Noncovalent Phosphorylase B and Glutamate Dehydrogenase Complexes

(2014) Xin Ma et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Impact of charge state on gas-phase behaviors of noncovalent protein complexes in collision induced dissociation and surface induced dissociation

(2013) Mowei Zhou et al.   ANALYST

Effects of Polarity on the Structures and Charge States of Native-Like Proteins and Protein Complexes in the Gas Phase

(2013) Samuel J. Allen et al.   ANALYTICAL CHEMISTRY

Gas-Phase Structure of the Histone Multimers Characterized by Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation

(2013) Kazumi Saikusa et al.   ANALYTICAL CHEMISTRY

Free molecular collision cross section calculation methods for nanoparticles and complex ions with energy accommodation

(2013) Carlos Larriba et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Ion Mobilities in Diatomic Gases: Measurement versus Prediction with Non-Specular Scattering Models

(2013) Carlos Larriba et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Protein Structure in the Gas Phase: The Influence of Side-Chain Microsolvation

(2013) Stephan Warnke et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Intrinsically Disordered p53 and Its Complexes Populate Compact Conformations in the Gas Phase

(2012) Kevin Pagel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Native ion mobility-mass spectrometry and related methods in structural biology

(2012) A. Konijnenberg et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Charge-State Dependent Compaction and Dissociation of Protein Complexes: Insights from Ion Mobility and Molecular Dynamics

(2012) Zoe Hall et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water-Induced Folding of 1,7-Diammoniumheptane

(2012) Maria Demireva et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Where’s the Charge? Protonation Sites in Gaseous Ions Change with Hydration

(2012) Terrence M. Chang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Do Charge State Signatures Guarantee Protein Conformations?

(2012) Zoe Hall et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Traveling-wave ion mobility mass spectrometry of protein complexes: accurate calibrated collision cross-sections of human insulin oligomers

(2012) Rune Salbo et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Evidence for α-helices in the gas phase: A case study using Melittin from honey bee venom

(2011) Hannah V. Florance et al.   ANALYST

Revealing the Quaternary Structure of a Heterogeneous Noncovalent Protein Complex through Surface-Induced Dissociation

(2011) Anne E. Blackwell et al.   ANALYTICAL CHEMISTRY

Charge-Surface Correlation in Electrospray Ionization of Folded and Unfolded Proteins

(2011) Lorenzo Testa et al.   ANALYTICAL CHEMISTRY

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

(2011) Nathan Schmid et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Structural Stability from Solution to the Gas Phase: Native Solution Structure of Ubiquitin Survives Analysis in a Solvent-Free Ion Mobility–Mass Spectrometry Environment

(2011) Thomas Wyttenbach et al.   JOURNAL OF PHYSICAL CHEMISTRY B

How useful is ion mobility mass spectrometry for structural biology? The relationship between protein crystal structures and their collision cross sections in the gas phase

(2010) Ewa Jurneczko et al.   ANALYST

Gas-Phase Compaction and Unfolding of Protein Structures

(2010) Izhak Michaelevski et al.   ANALYTICAL CHEMISTRY

Collision Cross Sections of Proteins and Their Complexes: A Calibration Framework and Database for Gas-Phase Structural Biology

(2010) Matthew F. Bush et al.   ANALYTICAL CHEMISTRY

Hydration Isomers of Protonated Phenylalanine and Derivatives: Relative Stabilities from Infrared Photodissociation

(2010) James S. Prell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proteins, Lipids, and Water in the Gas Phase

(2010) David van der Spoel et al.   MACROMOLECULAR BIOSCIENCE

Electrospray: From ions in solution to ions in the gas phase, what we know now

(2009) Paul Kebarle et al.   MASS SPECTROMETRY REVIEWS

Early Structural Evolution of Native Cytochrome c after Solvent Removal

(2008) Michal Z. Steinberg et al.   CHEMBIOCHEM

Effects of Familial Alzheimer’s Disease Mutations on the Folding Nucleation of the Amyloid β-Protein

(2008) Mary Griffin Krone et al.   JOURNAL OF MOLECULAR BIOLOGY

Ion mobility–mass spectrometry analysis of large protein complexes

(2008) Brandon T Ruotolo et al.   Nature Protocols

Conformational evolution of ubiquitin ions in electrospray mass spectrometry: molecular dynamics simulations at gradually increasing temperatures

(2008) Elad Segev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stepwise evolution of protein native structure with electrospray into the gas phase, 10-12 to 102 s

(2008) K. Breuker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Travelling wave ion mobility mass spectrometry studies of protein structure: biological significance and comparison with X-ray crystallography and nuclear magnetic resonance spectroscopy measurements

(2008) Charlotte A. Scarff et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY