Modeliranje samosestavljanja amiloidnih fibril z metodo Monte Carlo

Bajcar, Aleš (author), Urbič, Tomaž (mentor)

Z računalniškimi simulacijami metode Monte Carlo smo na podlagi dvodimenzionalnega grobega modela preučevali samosestavljanje amiloidnih fibril. Simulacije smo izvajali pri različnih temperaturah in gostotah, merili pa smo energijo sistema, število vodikovih vezi in lastnosti gruč, ki so jih delci tvorili. Na podlagi zbranih meritev smo analizirali obnašanje delcev, strukture, ki jih tvorijo, in razliko med obnašanjem delcev z različno velikimi stranskimi verigami pri različnih pogojih.

• Language: Slovenian
• Keywords: amiloidne fibrile, simulacija, Monte Carlo
• Work type: Bachelor thesis/paper
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Year: 2026
• PID: 20.500.12556/RUL-186937
• Publication date in RUL: 07.09.2026

Secondary language

• Language: English
• Title: Modelling of Amyloid Fibril Self-Assembly Using the Monte Carlo Method

Abstract

Using Monte Carlo computer simulations, we investigated the self-assembly of amyloid fibrils based on a two-dimensional coarse-grained model. The simulations were carried out at different densities and temperatures. We measured the system’s energy, the number of hydrogen bonds and the properties of clusters formed by the particles. Based on these measurements, we analysed particle behaviour, formed structures and the differences in behaviour between particles with different-sized side chains at various conditions.

• Keywords: amyloid fibrils, simulation, Monte Carlo