Fyzikální chemie

Nowadays, computational modelling when carried out with the high level of diligence and expertise can qualitatively predict many processes in chemistry or biochemistry. It can also have predictive power. To this aim, we aim at designing the novel peptide sequences mimicking the active site of metalloproteins, which would be enabled by the unique set of computer programs developed recently in our laboratory. The binding and functional properties of the novel sequences will be tested in the laboratories of our collaborators. We believe that the above-described efforts will result in the discovery of new concepts that govern the topology and folding of metalloproteins and their catalytic action.