Publications
Total number of publications: 5
Articles
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Best-Practice Aspects of Quantum-Computer Calculations: A Case Study of the Hydrogen Molecule
MOLECULES, year: 2022, volume: 27, edition: 3, DOI
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Property Map Collective Variable as a Useful Tool for a Force Field Correction
Journal of Chemical Information and Modeling, year: 2022, volume: 2022, edition: 62, DOI
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The EurOPDX Data Portal: an open platform for patient-derived cancer xenograft data sharing and visualization
BMC Genomics, year: 2022, volume: 2022, edition: 23, DOI
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Using hardware performance counters to speed up autotuning convergence on GPUs
Journal of Parallel and Distributed Computing, year: 2022, volume: 160, edition: February, DOI
Conference proceedings
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Improving ligand transport trajectory within flexible receptor in CaverDock
SAC '22: Proceedings of the 37th ACM/SIGAPP Symposium on Applied Computing, year: 2022