Ontology highlight
ABSTRACT:
SUBMITTER: Mandl T
PROVIDER: S-EPMC7416308 | biostudies-literature | 2020 Aug
REPOSITORIES: biostudies-literature
Mandl Thomas T Östlin Christofer C Dawod Ibrahim E IE Brodmerkel Maxim N MN Marklund Erik G EG Martin Andrew V AV Timneanu Nicusor N Caleman Carl C
The journal of physical chemistry letters 20200716 15
One of the challenges facing single particle imaging with ultrafast X-ray pulses is the structural heterogeneity of the sample to be imaged. For the method to succeed with weakly scattering samples, the diffracted images from a large number of individual proteins need to be averaged. The more the individual proteins differ in structure, the lower the achievable resolution in the final reconstructed image. We use molecular dynamics to simulate two globular proteins in vacuum, fully desolvated as ...[more]