Computational resources

Software and web resources developed in the group for biophysical data analysis, protein interaction prediction and structural dynamics.

Web resources

ComProteome. Explore the human proteome through local functional-group composition. The resource maps short protein segments into a chemically interpretable composition space, allowing users to identify clusters of similar segments and explore associated biological functions and interaction networks.

comproteome.katonalab.eu

Depositories

• ThermoBayes. A Bayesian framework for analysing microscale thermophoresis (MST) data.
  Google Colab notebook
  GitHub: ThermoBayes
• BNTRA. A Bayesian framework for analysing the global NMR signal decay in an NMR experiment.
  GitHub: BNTRA
• BayesLayerAnalyst. A Bayesian framework for analysing biolayer interferometry data of protein-protein interactions.
  GitHub: BayesLayerAnalyst
• ADP analysis. Software for modelling atomic displacement parameters in proteins, involving random generation of scaled atoms using a Wishart distribution.
  GitHub: ADP_analysis

Selected references

• Anindya, A. L. et al. (2022) Bayesian progress curve analysis of MicroScale thermophoresis data. Digital Discovery, 1, 325-332.
• Gagnér, V. A., Jensen, M. & Katona, G. (2021) Estimating the probability of coincidental similarity between atomic displacement parameters with machine learning. Machine Learning: Science and Technology, 2, 035033.
• Jensen, M. et al. (2023) Survivin prevents the polycomb repressor complex 2 from methylating histone 3 lysine 27. iScience, 26, 106976.