MDTOMO method for continuous conformational variability analysis in cryo electron subtomograms based on molecular dynamics simulations.

ABSTRACT: Cryo electron tomography (cryo-ET) allows observing macromolecular complexes in their native environment. The common routine of subtomogram averaging (STA) allows obtaining the three-dimensional (3D) structure of abundant macromolecular complexes, and can be coupled with discrete classification to reveal conformational heterogeneity of the sample. However, the number of complexes extracted from cryo-ET data is usually small, which restricts the discrete-classification results to a small number of enough populated states and, thus, results in a largely incomplete conformational landscape. Alternative approaches are currently being investigated to explore the continuity of the conformational landscapes that in situ cryo-ET studies could provide. In this article, we present MDTOMO, a method f

SUBMITTER: Vuillemot R 

PROVIDER: S-EPMC10313669 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature