18 May 2026

Atomic Charge Calculator III was published in the Nucleic Acids Research

Atomic Charge Calculator III, tool for calculation of partial atomic charges for various molecular systems, including small organic molecules and proteins, was published in the journal Nucleic Acids Research.

18 May 2026

An article on ring analysis in ligand has been published

An article titled "Analysis of the conformations of cyclohexane, cyclopentane, and benzene in ligands for X-ray structures from the PDB database using the Hill-Reilly approach" was published in the Journal of Cheminformatics.

20 Mar 2026

Our contribution to the CS3 2026 - Cloud Storage Synchronization and Sharing

Our colleague Adrián Rošinec recently attended the conference CS3 2026 - Cloud Storage Synchronization and Sharing with a presentation about the Distributed data sharing infrastructure for scientific institute based on Onedata.

18 Dec 2025

Our contribution to the Sip of Science

Our colleage Adrian Rošinec recently attended the Sip of Science event with a presentation about The Dark Matter of Molecular Dynamics Data - Turning Chaos Into Knowledge.

18 Dec 2025

Our contribution to the XXIV. Meeting of Biochemists and Molecular Biologists

The traditional Czech conference XXIV. Meeting of Biochemists and Molecular Biologists took place from 11th to 12th November 2025 in the Hotel Continental in Brno.

30 Oct 2025

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.

23 Oct 2025

MOLEonline was published in Bioinformatics

MOLEonline, a tool designed to detect and analyse channels (pores and tunnels) within protein structures, was published in the Bioinformatics journal.

30 Jun 2025

Eleven theses successfully defended in spring 2024