Prediction of peptide mass spectral libraries with machine learning

J Cox - Nature Biotechnology, 2023 - nature.com
The recent development of machine learning methods to identify peptides in complex mass
spectrometric data constitutes a major breakthrough in proteomics. Longstanding methods …

Electrospray ionization mass spectrometry: a technique to access the information beyond the molecular weight of the analyte

S Banerjee, S Mazumdar - International journal of analytical …, 2012 - Wiley Online Library
The Electrospray Ionization (ESI) is a soft ionization technique extensively used for
production of gas phase ions (without fragmentation) of thermally labile large …

High-quality MS/MS spectrum prediction for data-dependent and data-independent acquisition data analysis

S Tiwary, R Levy, P Gutenbrunner, F Salinas Soto… - Nature …, 2019 - nature.com
Peptide fragmentation spectra are routinely predicted in the interpretation of mass-
spectrometry-based proteomics data. However, the generation of fragment ions has not …

Hydrogen exchange mass spectrometry for studying protein structure and dynamics

L Konermann, J Pan, YH Liu - Chemical Society Reviews, 2011 - pubs.rsc.org
Hydrogen/deuterium exchange (HDX) mass spectrometry (MS) has become a key technique
for monitoring structural and dynamic aspects of proteins in solution. This approach relies on …

Compelling evidence for lucky survivor and gas phase protonation: the unified MALDI analyte protonation mechanism

TW Jaskolla, M Karas - Journal of the American Society for Mass …, 2011 - ACS Publications
This work experimentally verifies and proves the two long since postulated matrix-assisted
laser desorption/ionization (MALDI) analyte protonation pathways known as the Lucky …

Charging and supercharging of proteins for mass spectrometry: recent insights into the mechanisms of electrospray ionization

L Konermann, H Metwally, Q Duez, I Peters - Analyst, 2019 - pubs.rsc.org
Electrospray ionization (ESI) is an essential technique for transferring proteins from solution
into the gas phase for mass spectrometry and ion mobility spectrometry. The mechanisms …

De novo sequencing and homology searching

B Ma, R Johnson - Molecular & cellular proteomics, 2012 - ASBMB
In proteomics, de novo sequencing is the process of deriving peptide sequences from
tandem mass spectra without the assistance of a sequence database. Such analyses have …

[HTML][HTML] Supramolecular self-assembly strategies of natural-based β-lactoglobulin modulating bitter perception of goat milk-derived bioactive peptides

R Zhang, W Jia - Journal of Dairy Science, 2024 - Elsevier
Complete self-assembly and reassembly behavior of bitter peptide-protein necessitates
multilevel theories that encompass phenomena ranging from the self-assembly of …

Collision energies: Optimization strategies for bottom‐up proteomics

Á Révész, H Hevér, A Steckel… - Mass spectrometry …, 2023 - Wiley Online Library
Mass‐spectrometry coupled to liquid chromatography is an indispensable tool in the field of
proteomics. In the last decades, more and more complex and diverse biochemical and …

Protein ions generated by native electrospray ionization: comparison of gas phase, solution, and crystal structures

M Bakhtiari, L Konermann - The Journal of Physical Chemistry B, 2019 - ACS Publications
Experiments and molecular dynamics (MD) simulations in the literature indicate that
gaseous proteins generated by electrospray ionization (ESI) can retain native-like structures …