A Study of Sequence Distribution of a Painted Globule as a Model for Proteins with Good Folding Properties

TL;DR

This paper introduces a method to analyze the folding and sequence distribution of a simplified protein model, using simulation and painting techniques to understand how sequence disorder influences globule formation.

Contribution

It presents a novel combined simulation and painting approach to study sequence distribution in a simplified protein folding model.

Findings

Proposes a theoretical function for disorder distribution in copolymer sequences.

Demonstrates the effectiveness of the method in modeling protein-like globule formation.

Provides insights into the relationship between sequence composition and folding properties.

Abstract

In this paper we present a method to study the folding structure of a simple model consisting of two kinds of monomers, hydrophobic and hydrophilic. This method has three main steps: an efficient simulation method to bring an open sequence of homopolymer to a folded state, the application of a painting method called (regular hull) to the folded globule and the refolding process of the obtained copolymer sequence. This study allows us to suggest a theoretical function of disorder distribution for copolymer sequences that give rise to a compacted and well micro-phase separated globule.