Properties of polymers adsorbed on solid surfaces

Simulations of idealized models of heteropolymer/polypeptide chains were carried out by means of the Monte Carlo method. The idealized model chains were constructed of united atoms and were confined to a (3 1 0) hybrid lattice. Each chain consisted of two kinds of segments: hydrophobic and hydrophilic. The segments interacted with a long-distance contact potential and short-distance repulsion that mimic the main types of molecular interactions in polymer chains. The local propensities for forming secondary structures were also incorporated into the model. The chain were placed near an impenetrable and attractive surface. The properties of the system were determined using the replica exchange Monte Carlo algorithm. The influence of the temperature and the force field on the properties of the model system were studied.