Homology modeling of proteins

We use this technique also known as comparative modeling of protein to construct an atomic-resolution model of the "target" protein from its amino acid sequence and an experimental three-dimensional structure of a related homologous protein (the "template"). Homology modeling relies on the identification of one or more known protein structures likely to resemble the structure of the query sequence, and on the production of an alignment that maps residues in the query sequence to residues in the template sequence. It has been shown that protein structures are more conserved than protein sequences amongst homologues, but sequences falling below a 20% sequence identity can have very different structure. We also offer validation of the predicted model, folowing molecular dynamics simulation, molecular docking or structural analysis of the protein.


Bioinformatics screening

We develop computational method suitable for in silico screening of protein, DNA or RNA by small molecule antagonists based on sequence analysis of agonists. The method explores conserved short linear binding motives on biomolecules and their combination and combines them into a unique descriptor which is a measure of the affinity.