Modeling of biocompatible materials for biomedical applications
Physical chemistry, Organic chemistry
Name of the supervisor
Mgr. Zuzana Benková, PhD.
Faculty of Natural Sciences, Comenius University
Protection of surfaces against undesired protein adsorption is of significant importance in biochemical and nanotechnological applications. One of the most frequently used method of surface protection is reversible or irreversible coating of surfaces with polymer chains. For this purpose, poly(ethylene oxide) (PEO) is very often used. PEO is biocompatible, nontoxic, does not induce immune response in living bodies and is perfectly soluble in water. Presently, however, also poly(2-oxazoline) (POX), which displays similar properties to PEO, is becoming prominent and, moreover, indications about its superiority in protection effectiveness have appeared. Molecular dynamics simulations enable to compare the surface protection effectivity of PEO and POX against protein adsorption and to explain the differences at atomistic level. The simulations will be performed using program package GROMACS.