The goal of this project is to understand the knotting phenomena in proteins based on Artificial Intelligence (AI) approach, and to develop means to predict de novo knotted protein structures. The scope of the project belongs to the area of fundamental research in structural biology. It is focused on the relations between sequence, structure, and function of proteins, and one of the most difficult aspects in this context, which is the role of non-trivial topology. The project is of interdisciplinary nature and involves aspects of knot theory (a branch of mathematics), machine learning, computer simulations, structural biology, and in vivo and in silico studies.

Publications