Bioinformatics support for researchers

At the Laboratory of Computational Biology, we integrate advanced deep-learning tools like AlphaFold to enhance our bioinformatics support for research groups. This approach keeps us at the forefront of protein structure prediction and modeling, especially with protein complex systems such as protein-peptide, protein-protein, and protein-RNA interactions.

We utilize the latest deep learning technology to improve the accuracy and efficiency of our models, ensuring our research is reliable. Our diverse team, skilled in chemistry, bioinformatics, physics, and medical sciences, is well-equipped to address a broad spectrum of scientific challenges.

In addition to our expertise in peptide drug design and molecular interaction analysis, we specialize in drug design, virtual screening, and RNA structure prediction. This comprehensive capability supports a wide range of projects, from designing new peptide drugs to exploring biomolecular complexes. We are particularly focused on structural bioinformatics, actively seeking new challenges in peptide discovery and design, often in collaboration with experimental groups.

For more information or to discuss potential collaborations, please email us at sekmi@chem.uw.edu.pl.

Supercomputing

We manage the FunK supercomputer at the Biological and Chemical Research Centre. The FunK high capacity (2400 cores/ 4800 threads/ 382 teraflops and 200 GPUs) offers a vast range of high-performance computing possibilities. Those include long simulations of complex biomolecular systems or big data analysis.

Free and paid use

The Funk supercomputer is available to users from the University of Warsaw, other academic institutions, or industry. There are different ways to access Funk machines, including special access routes for academic research projects and paying for resources on the system. For more information on academic or paid access, please contact: sekmi@chem.uw.edu.pl

Research supercomputing services

Currently, we use high-performance computing in the following areas:

• molecular dynamics of biological systems: in all-atom and coarse-grained resolutions
  
• structure prediction of proteins and their complexes
• molecular docking: protein-peptide, protein-protein, protein-small ligand
• development and design of easy-to-use web servers supported by high-performance computing
• structure-based drug design
• bioinformatic support of experimental studies
• biostatistics
• scientific databases
• big data analysis
  

FunK wiki: http://www.cnbch.uw.edu.pl/hpc/FunK/