Publications
Total number of publications: 5
Articles
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Caver Web 2.0: analysis of tunnels and ligand transport in dynamic ensembles of proteins
Nucleic Acids Research, year: 2025, volume: 53, edition: May 2025, DOI
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Gromacs MetaDump: a tool for extracting GROMACS simulation metadata
Journal of Cheminformatics, year: 2025, volume: 17, edition: 1, DOI
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PDBCharges: Quantum-Mechanical Partial Atomic Charges for PDB Structures
Nucleic Acids Research, year: 2025, volume: 53, edition: W1, DOI
Conference proceedings
Other applied results
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GROMACS MetaDump
Year: 2025