ATLAS: protein flexibility description from atomistic molecular dynamics simulations.

ABSTRACT: Dynamical behaviour is one of the most crucial protein characteristics. Despite the advances in the field of protein structure resolution and prediction, analysis and prediction of protein dynamic properties remains a major challenge, mostly due to the low accessibility of data and its diversity and heterogeneity. To address this issue, we present ATLAS, a database of standardised all-atom molecular dynamics simulations, accompanied by their analysis in the form of interactive diagrams and trajectory visualisation. ATLAS offers a large-scale view and valuable insights on protein dynamics for a large and representative set of proteins, by combining data obtained through molecular dynamics simulations with information extracted from experimental structures. Users can easily analyse dynamic p

SUBMITTER: Vander Meersche Y 

PROVIDER: S-EPMC10767941 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature