Cryo-EM of soft-landed β-galactosidase: Gas-phase and native structures are remarkably similar

TK Esser, J Böhning, A Önür, DK Chinthapalli… - Science …, 2024 - science.org
Native mass spectrometry (MS) has become widely accepted in structural biology, providing
information on stoichiometry, interactions, homogeneity, and shape of protein complexes …

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

L Konermann, H Metwally, RG McAllister, V Popa - Methods, 2018 - Elsevier
The ability to transfer intact proteins and protein complexes into the gas phase by
electrospray ionization (ESI) has opened up numerous mass spectrometry (MS)-based …

Ion mobility mass spectrometry uncovers the impact of the patterning of oppositely charged residues on the conformational distributions of intrinsically disordered …

R Beveridge, LG Migas, RK Das… - Journal of the …, 2019 - ACS Publications
The global dimensions and amplitudes of conformational fluctuations of intrinsically
disordered proteins are governed, in part, by the linear segregation versus clustering of …

Controlled Formation of Nanoribbons and Their Heterostructures via Assembly of Mass‐Selected Inorganic Ions

X Zhang, V Srot, X Wu, K Kern, PA van Aken… - Advanced …, 2024 - Wiley Online Library
Control of nanomaterial dimensions with atomic precision through synthetic methods is
essential to understanding and engineering of nanomaterials. For single‐layer inorganic …

Development of magnetoelectric CoFe 2 O 4/poly (vinylidene fluoride) microspheres

R Gonçalves, P Martins, DM Correia, V Sencadas… - Rsc Advances, 2015 - pubs.rsc.org
Magnetoelectric microspheres based on piezoelectric poly (vinylidene fluoride)(PVDF) and
magnetostrictive CoFe2O4 (CFO), a novel morphology for polymer-based ME materials …

Release of native-like gaseous proteins from electrospray droplets via the charged residue mechanism: insights from molecular dynamics simulations

RG McAllister, H Metwally, Y Sun… - Journal of the American …, 2015 - ACS Publications
The mechanism whereby gaseous protein ions are released from charged solvent droplets
during electrospray ionization (ESI) remains a matter of debate. Also, it is unclear to what …

Zero volt paper spray ionization and its mechanism

M Wleklinski, Y Li, S Bag, D Sarkar… - Analytical …, 2015 - ACS Publications
The analytical performance and a suggested mechanism for zero volt paper spray using
chromatography paper are presented. A spray is generated by the action of the pneumatic …

Exploring the mechanism of salt-induced signal suppression in protein electrospray mass spectrometry using experiments and molecular dynamics simulations

H Metwally, RG McAllister, L Konermann - Analytical chemistry, 2015 - ACS Publications
Protein analyses by electrospray ionization (ESI) mass spectrometry can suffer from
interferences caused by nonvolatile salts. The mechanistic basis of this effect remains to be …

Ions from solution to the gas phase: a molecular dynamics simulation of the structural evolution of substance P during desolvation of charged nanodroplets generated …

D Kim, N Wagner, K Wooding… - Journal of the …, 2017 - ACS Publications
Molecular dynamics (MD) simulations are used to model changes in the conformational
preferences of a model peptide during the transition from a hydrated environment (charged …

Mechanism of Magic Number NaCl Cluster Formation from Electrosprayed Water Nanodroplets

L Konermann, Y Haidar - Analytical chemistry, 2022 - ACS Publications
Events taking place during electrospray ionization (ESI) can trigger the self-assembly of
various nanoclusters. These products are often dominated by magic number clusters …