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.
Our colleagues Tomáš Raček, Tomáš Svoboda and Adrián Rošinec were actively present at The Open Science Workshop 2024 that took place yesterday (18th June) at the Faculty of Social Studies at the Masaryk University.
In the morning block, Tomáš Svoboda and Adrián Rošinec had a presentation about the current state of data management at the CEITEC Masaryk University. Afterwards, Tomáš Raček presented good data management practices in the ELIXIR-CZ research infrastructure. Both Tomáš Svoboda and Adrián Rošinec then took part in an afternoon panel discussion that revolved around possible solutions for data storage, sensitive or otherwise, at Masaryk University.
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.