Workshop: Software tools for structural bioinformatics
Radka Svobodová from the Structural Bioinformatics group organized a workshop, Software Tools for Structural Bioinformatics, on 12-14 February.
Our contribution to the BioExcel Conference on Molecular Dynamics Data Management
Our colleague Adrian Rošinec recently attended the BioExcel conference, showcasing a poster on the challenges and opportunities in molecular dynamics (MD) data management. His presentation highlighted the limitations of metadata in identifying and comparing complex MD trajectories, emphasizing the need for advanced similarity search methods.
The poster explored how embedding techniques can transform MD trajectories into compact, searchable vectors, enabling comparisons that reveal functional similarities and dynamic behaviours beyond metadata. Adrian's work, inspired by tools like AlphaFind [1,2], aims to advance the MD community’s ability to effectively analyze and interpret large-scale simulation data.
