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.
Radka Svobodová from the Structural Bioinformatics group organized a workshop, Software Tools for Structural Bioinformatics, on 12-14 February. The event aimed to familiarize participants with the key steps in the process of biomolecular structure analysis and to equip them with practical skills in their processing.
The workshop focused on the processes of searching, visualization and validation of biomolecular structures, as well as the analysis of biologically relevant ligands. Participants had the opportunity to work with many specialized tools for structural data analysis, such as Mol*, 2DProts, ACC2, αCharges, MOLEonline, ChannelsDB and others, which they tried out in hands-on exercises.
We thank all attendees for their active participation and look forward to seeing each other at similar events in the future.
GROMACS MetaDump, a tool for automatic annotation of output files from GROMACS MD simulations, was published in the Journal of Cheminformatics.
MOLEonline, a tool designed to detect and analyse channels (pores and tunnels) within protein structures, was published in the Bioinformatics journal.