Adam Liwo

Data-assisted modeling of the ensemble structure of intrinsically disordered proteins and their assemblies

Title: Increasing global and local accuracy of the coarse-grained UNRES model of proteins and its extensions to simulating very large protein systems and racemization of amino-acid residues.

Zintegrowane podejście do przewidywania struktur białek oraz kompleksów białek przy użyciu gruboziarnistego pola siłowego UNRES z wykorzystaniem informacji z baz danych strukturalnych (An integrated approach to the prediction of the structures of proteins and protein complex with the use of the coarse-grained UNRES force field and utilizing the information from structural data bases).

Jednolity model gruboziarnisty makromolekuł biologicznych oparty o średniopolowe oddziaływania multipol-multipol (A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions).