Gromacs MetaDump was published in the Journal of Cheminformatics
GROMACS MetaDump, a tool for automatic annotation of output files from GROMACS MD simulations, was published in the Journal of Cheminformatics.
An article was published in collaboration with PDBe
Our colleague, Romana Gáborová, has recently co-authored an article with the Protein Data Bank (PDB) in Europe. The paper deals with current annotation practices (or the lack of such practices in most cases) of macromolecular complex assemblies. The authors propose a method to describe assemblies and enrich them with relevant biological context. An important benefit of the presented approach is the improvement of PDB's FAIR attributes.
The manuscript "Annotating Macromolecular Complexes in the Protein Data Bank: Improving the FAIRness of Structure Data" has been published in the Scientific Data journal.
