This study delves into the interaction between benzodiazepine (BZD) drugs and 2-
hydroxypropyl-β-cyclodextrin (2HPβCD), a cyclodextrin (CD) known to improve drug delivery …

In a recent computational study, we found highly structured conformations for the polymer-
attractive sphere model system. Those conformations are of highly ordered spherical shape …

This study presents a comprehensive analysis of the cholesterol binding mechanism and
conformational changes in cyclodextrin (CD) carriers, namely βCD, 2HPβCD, and MβCD …

Natural biological surfaces exhibit interesting properties due to their inhomogeneous
chemical and physical structure at the micro-and nanoscale. In the case of hair or skin, this …

Cyclodextrins (CDs) can enhance the stability and bioavailability of pharmaceutical
compounds by encapsulating them within their cavities. This study utilized molecular …

Significant advances have been achieved in understanding the main molecular
mechanisms leading to asphaltene aggregation. However, the existing computational …

Self-avoiding walk (SAW) represents a linear polymer chain on a large scale, neglecting its
chemical details and emphasizing the role of its conformational statistics. The role of the …

The conformational behavior of a coarse-grained finite polymer chain near an attractive
spherical surface was investigated by means of multicanonical Monte Carlo computer …

We analyze the structural formation of a polymer chain inside of an attractive sphere
depending on the attraction strength. Our model is composed of a coarse-grained polymer …

A brief review of our recent studies aiming at a better understanding of the scaling behaviour
of polymers in disordered environments is given. The main emphasis is on a simple generic …