PDBCharges was published in an article
PDBCharges, a tool providing partial atomic charges for protein structures from the Protein Data Bank, was published in the journal Nucleic Acids Research.
During the last fortnight, eleven of our colleagues successfully defended their theses as the Spring semester of 2025 ended. Theses were defended at the Faculty of Science and the Faculty of Informatics.
At the Faculty of Informatics, Eduard Ruisl defended his diploma thesis on "Structural Bioinformatics Application Platform". Ján Kučera defended his diploma thesis on "Design and implementation of automatic data storage in ChannelsDB". Martin Pilát defended his diploma thesis on "Design and implementation of a new architecture for the Atomic Charge Calculator II". David Konečný defended his diploma thesis on"Acquisition of research data from specialised instruments". Jan Bříza defended his diploma thesis on "Calculations of partial atomic charges by machine learning methods".
Jakub Plhal defended his bachelor's thesis on "GOLEM application back end". Patrik Roháč defended his bachelor thesis on "Data downsampling for Mol* VS". Marek Eibel defended his bachelor thesis on "VRML to STL mesh format converter for Mol* VS". Andrej Gáfrik defended his bachelor thesis on "Making data stored in the Onedata system available by application for Windows".
At the Faculty of Science, Lukáš Bohuš defended his final project on "Repairing protein structures from AlphaFold DB". Margarita Marsova defended her final project on "Analysis of IDR in transcriptome".
PDBCharges, a tool providing partial atomic charges for protein structures from the Protein Data Bank, was published in the journal Nucleic Acids Research.
In 2018, the first version of our ChannelsDB database was published. Now, its second version was made public in the article ChannelsDB 2.0: a comprehensive database of protein tunnels and pores in AlphaFold era published in the Database issue of the Nucleic Acids Research journal.