742 citations
- Wellcome TrustGB18 papers
- University of CambridgeGB11 papers
- Wellcome Sanger InstituteGB11 papers
- Centre National de la Recherche ScientifiqueFR10 papers
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- SIB Swiss Institute of BioinformaticsCH9 papers
- European Molecular Biology LaboratoryDE7 papers
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- Broad InstituteUS6 papers
- University of HelsinkiFI6 papers
6 papers · 1 filter
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…
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…
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…
Assessment of protein assembly prediction in CASP13
Dmytro Guzenko, Aleix Lafita, Bohdan Monastyrskyy +2
We present the assembly category assessment in the 13th edition of the CASP community-wide experiment. For the second time, protein assemblies constitute an independent assessment…
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction
Virgile Adam, Antoine Royant, Vincent Nivière +2
Some sulfate-reducing and microaerophilic bacteria rely on the enzyme superoxide reductase (SOR) to eliminate the toxic superoxide anion radical (O2*-). SOR catalyses the one-elect…
Buried and accessible surface area control intrinsic protein flexibility
Joseph A. Marsh
Proteins experience a wide variety of conformational dynamics that can be crucial for facilitating their diverse functions. How is the intrinsic flexibility required for these moti…