Institute of Chemistry
Biocompatible surfaces interactions with proteins study using molecular simulations.
Name of the supervisor
Mgr. Stanislav Kozmon, PhD.
Faculty of Chemical and Food Technology, Slovak University of Technology
The proposed thesis will focus on the study of non-binding interactions of biocompatible polymer matrices with proteins present on the cell wall, which mediate the interaction with the extracellular environment. The study will focus on interactions with adhesins, integrins or selectins. The work will focus on the study of interactions of selected proteins with the surface of the polymer matrix and a design of the studied surface modifications to change its interaction with proteins. Several approaches in the field of computational chemistry will be used. The main emphasis will be on molecular dynamics simulations, homologous modeling, docking and hybrid QM/MM calculations.