We have launched a Computer-assisted Drug Design Department. The unit’s task will be to support, in terms of bioinformatics and chemoinformatics, the process of designing active substances: developing methodology, conducting and analysing virtual screening, analysing the binding of active particles with proteins, estimating and assessing ADMET parameters, creating QSAR models.
The Department has a wide range of bioinformatics and chemoinformatics software. It also develops and applies own, innovative algorithms. Unique research on the use of artificial intelligence methods in designing drugs and evaluating ADMET parameters is being conducted.
The researchers have a 16-processor server and a cluster of several working stations at their disposal.