ABOUT LABORATORY

The main activity are using the methods of spatial molecular modeling for prediction of structures, properties of high- and low-weight compounds and their interactions, discovery and development of biological active compounds, toxicity prediction for different fields of biomedical science.

The main fields are bioinformatics and computer-aided drug discovery:

• computer modeling of three-dimensional structure of proteins, molecular complexes (protein/protein, protein/low-weight ligand, protein/DNA)
• prediction of complex affinity;
• ADMET properties of compounds;
• discovery of inhibitors of enzymes and protein-protein interactions;
• virtual screening of molecular databases;
• QSAR and 3D-QSAR analysis.

Phone: +7 (499) 245-07-68