Title:Recent Advances in Protein Folding Pathway Prediction through
Computational Methods
Volume: 31
Issue: 26
关键词:
蛋白质折叠途径，计算方法，人工智能技术，机器学习，构象采样，远程模板。
摘要: The protein folding mechanisms are crucial to understanding the fundamental
processes of life and solving many biological and medical problems. By studying the
folding process, we can reveal how proteins achieve their biological functions through
specific structures, providing insights into the treatment and prevention of diseases.
With the advancement of AI technology in the field of protein structure prediction, computational
methods have become increasingly important and promising for studying protein
folding mechanisms. In this review, we retrospect the current progress in the field
of protein folding mechanisms by computational methods from four perspectives: simulation
of an inverse folding pathway from native state to unfolded state; prediction of early
folding residues by machine learning; exploration of protein folding pathways
through conformational sampling; prediction of protein folding intermediates based on
templates. Finally, the challenges and future perspectives of the protein folding problem
by computational methods are also discussed.
