A lightweight visualization tool for protein unfolding by collision detection and elimination
Year: 2024
Type: article
Abstract: The experiments involving protein denaturation and refolding serve as the foundation for predicting the three-dimensional spatial structures of proteins based on their amino acid sequences. Despite significant progress in protein structure engineering, exemplified by AlphaFold2 and OmegaFold, there remains a gap in understanding the folding pathways of polypeptide chains leading to their final structures. We developed a lightweight tool for protein unfolding visualization called PUV whose graphics design is mainly implemented by OpenGL. PUV leverages principles from molecular biology and physics, and achieves rapid visual dynamics simulation of protein polypeptide chain unfolding through mechanical force and atom-level collision detection and elimination. After a series of experimental validations, we believe that this method can provide essential support for investigating protein folding mechanisms and pathways.
Source: Frontiers in Computer Science
Authors: Hua Qian, Yu Chen, Yelu Jiang
Institutions: Suzhou Art & Design Technology Institute, Soochow University
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: gold
Estimated APC paid: $1,285
OpenAlex ID: W4402640198