两类蛋白质粗粒化模型  

Coarse-Grained Models for Two Types of Proteins

作　　者：史绍康 赵莉 吕中元 SHI Shaokang;ZHAO Li;L Zhongyuan(College of Chemistry,Jilin University,Changchun 130012,China;School of Life Sciences,Jilin University,Changchun 130012,China)

机构地区：[1]吉林大学化学学院,长春130012 [2]吉林大学生命科学学院,长春130012

出　　处：《吉林大学学报(理学版)》2025年第1期182-190,共9页Journal of Jilin University:Science Edition

基　　金：国家自然科学基金(批准号:22473048).

摘　　要：基于在分子层面探究蛋白质折叠、组装和相分离等行为的动力学细节特征是目前该领域研究的重点和难点,而粗粒化模型已成为应对该问题的关键策略.综述蛋白质粗粒化模型的发展历程,介绍两种常用的粗粒化模型,并阐述其建模方法、势能函数以及在实际生物体系中的应用.通过展示这些模型在复杂蛋白质体系模拟中的应用优势,揭示粗粒化模型在显著减少计算资源消耗方面的独特价值,及其在推进大规模蛋白质动力学过程研究中的潜力与重要意义.Exploring the dynamic detail characteristics of protein folding,assembly,and phase separation at the molecular level is currently the focus and difficulty of research in this field,and coarse-grained model have become a key strategy to address these issues.We review the development history of coarse-grained model of protein,introduce two commonly used coarse-grained models,and explain their modeling methods,potential energy functions,and applications in practical biological systems.By demonstrating the application advantages of these models in simulating complex protein systems,we review the unique value of coarse-grained model in significantly reducing computational resource consumption,as well as their potential and significance in advancing the study of large-scale protein dynamic processes.

关 键 词：蛋白质 粗粒化 多尺度 分子动力学模拟 

分 类 号：O641.3[理学—物理化学]