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Laboratory for Bio and Chemoinformatics

About the Laboratory

The Laboratory for Bio and Chemoinformatics was established in 2023 within the School of Computer Science, Physics, and Technology at HSE University–St Petersburg as part of the project ‘Molecular Evolution, Protein Dynamics, and Computer-Aided Molecular Design.’

Key Research Areas of the Laboratory:

  • Studying the structure and properties of complex biological molecular systems and modelling them in the context of socially significant diseases
  • Identifying new targets involved in the pathogenesis of human diseases
  • Developing small-molecule compounds for targeted therapy

Equipment

An HPC server cluster based on Intel Xeon/AMD CPUs and Nvidia GPUs intended for computational modelling and machine-learning workloads.

News

Researchers at HSE University and the Institute of Bioorganic Chemistry of the Russian Academy of Sciences (IBCh RAS) have studied how the immune system functions in multiple sclerosis (MS), a disease in which the body's own antibodies attack its nerve fibres. By comparing blood samples from MS patients and healthy individuals, scientists have discovered that the immune system in MS patients can mistake viral proteins for those of nerve cells. Several key proteins have also been identified that could serve as new biomarkers for the disease and aid in its diagnosis. The study has been published in  Frontiers in Immunology. The research was conducted with support from the Russian Science Foundation.
August 28, 2025
The International Academic Cooperation (IAC) competition aims to promote international academic partnerships, broaden research agendas, and foster interdisciplinary approaches. It also encourages students, including doctoral students at HSE University, to participate in joint basic research projects.
May 12, 2025
More news