Reproducibility in the unfolding process of protein induced by an external electric field

  • The dynamics of proteins are crucial for their function. However, commonly used techniques for studying protein structures are limited in monitoring time-resolved dynamics at high resolution. Combining electric fields with existing techniques to study gas-phase proteins, such as single particle imaging using free-electron lasers and gas-phase small angle X-ray scattering, has the potential to open up a new era in time-resolved studies of gas-phase protein dynamics. Using molecular dynamics simulations, we identify well-defined unfolding pathways of a protein, induced by experimentally achievable external electric fields. Our simulations show that strong electric fields in conjunction with short-pulsed X-ray sources such as free-electron lasers can be a new path for imaging dynamics of gas-phase proteins at high spatial and temporal resolution.

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Metadaten
Verfasserangaben:Thomas Mandl, Anna Sinelnikova, Christofer Östlin, Oscar Grånäs, Maxim N. Brodmerkel, Erik G. Markl, Carl Caleman
Titel des übergeordneten Werkes (Englisch):Chemical Science
Dokumentart:Wissenschaftlicher Artikel
Sprache:Englisch
Veroeffentlichungsdatum:26.12.2020
Verwaltung Metadaten:Fachhochschule Technikum Wien
Datum der Freischaltung:16.03.2021
GND-Schlagwort:Reproducibility protein
Veroeffentlichung auf Webseite:1
Open Access:1
Reviewed:0
Link zur Publikation:https://doi.org/10.1039/D0SC06008A
Link zur Publikation:https://zenodo.org/record/4608373#.YFG0p9qg82w
Department:Department Computer Science
Forschungsschwerpunkt:Sonstiges
Projekte:Import
Studienjahr:2020/2021