3 papers
q-bio.BM2024
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
q-bio.BM2023
Community recommendations on cryoEM data archiving and validation
Gerard J. Kleywegt, Paul D. Adams, Sarah J. Butcher +44
In January 2020, a workshop was held at EMBL-EBI (Hinxton, UK) to discuss data requirements for deposition and validation of cryoEM structures, with a focus on single-particle anal…
q-bio.BM2023
PDBImages: A Command Line Tool for Automated Macromolecular Structure Visualization
Adam Midlik, Sreenath Nair, Stephen Anyango +4
Summary: PDBImages is an innovative, open-source Node.js package that harnesses the power of the popular macromolecule structure visualization software Mol*. Designed for use by th…