We translate

biology into numbers.

numbers into biology.

Fast simulations of protein flexibility?

Structural biology software

We develop and design computational tools for structural biology that include easy-to-use web servers and comprehensive standalone applications for advanced users.

Our web server apps

CABS-dock for protein-peptide docking, CABS-flex 2.0 for fast simulations of protein flexibility, Aggrescan3D for structure-based prediction of protein aggregation properties

Our standalone apps

CABS-flex simulation environment for fast modeling of protein flexibility, CABS-dock toolbox for modeling protein-peptide interactions, Aggrescan3D for structure-based design of soluble protein variants

Computational Biology Services

We provide computational biology services to academics and private partners. The services include broad range of computational support to biomedical research: modeling of proteins or their complexes (in particular protein-peptide complexes), structure prediction and dynamic simulations of biological systems, structure-based drug design, bioinformatics, biostatistics and big data analysis.

High Performance Computing

To provide computational services, we employ cyberinfrastructure of the University of Warsaw Biological and Chemical Research Centre (high performance computing cluster). The high capacity of our cluster (382 teraflops) open exciting possibilities for simulations of complex biological systems, big data analysis and other large-scale computations.

Join our team

We are constantly looking for motivated individuals to join our team or to remotely cooperate on defined goals. We offer trainings, support in pursuing scientific projects in different areas of computational biology, or a cozy desk in our facilities in Warsaw. The possibility of financial support depends on ongoing grants.

Recent publications

Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-Grained Simulations and Elastic Network Models

Fluctuations of protein three-dimensional structures and large-scale conformational transitions are crucial for the(...) Read more

Combining Structural Aggregation Propensity and Stability Predictions To Redesign Protein Solubility

The aggregation propensity of each particular protein seems to be shaped by evolution according to its natural abun(...) Read more

Design and synthesis of novel 1H-tetrazol-5-amine based potent antimicrobial agents: DNA topoisomerase IV and gyrase affinity evaluation supported by molecular docking studies

A total of 14 of 1,5-disubstituted tetrazole derivatives were prepared by reacting appropriate thiourea and sodium (...) Read more

Who we are?

We are group of life science researchers with different backgrounds: chemistry, bioinformatics, physics and medical sciences. We mainly work on development and applications of molecular modeling tools in biology and medicine. Our interests embrace broad aspects of computational biology, from molecular simulations to data analysis.