Andrzej Koliński

We know about 1000 times more protein sequences than protein structures (ca. 30M against ca. 30k). The gap increases.

This is a challenge for bioinformatics and computational structural biology. Classical Molecular Mechanics studies of the large scale conformational rearrangements of biomolecules are still impractical

The number of degrees of freedom treated in an explicit way needs to be reduced and the energy landscape smoothened using reduced representation and statistical, knowledge-based potentials.

CABS reduced model of proteins developed in this laboratory is used for the ab initio (de novo) and structure prediction. It can be also used in the studies of denatured state dynamics near the folding transition, large scale hybrid simulation of protein dynamics and molecular docking.