Cryo-EM of soft-landed β-galactosidase: Gas-phase and native structures are remarkably similar
Native mass spectrometry (MS) has become widely accepted in structural biology, providing
information on stoichiometry, interactions, homogeneity, and shape of protein complexes …
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 …
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 …
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
Control of nanomaterial dimensions with atomic precision through synthetic methods is
essential to understanding and engineering of nanomaterials. For single‐layer inorganic …
essential to understanding and engineering of nanomaterials. For single‐layer inorganic …
Development of magnetoelectric CoFe 2 O 4/poly (vinylidene fluoride) microspheres
Magnetoelectric microspheres based on piezoelectric poly (vinylidene fluoride)(PVDF) and
magnetostrictive CoFe2O4 (CFO), a novel morphology for polymer-based ME materials …
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 …
during electrospray ionization (ESI) remains a matter of debate. Also, it is unclear to what …
Zero volt paper spray ionization and its mechanism
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 …
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 …
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 …
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 …
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 …
various nanoclusters. These products are often dominated by magic number clusters …