生物技术通报2026，Vol.42Issue(2)：136-148,13.DOI:10.13560/j.cnki.biotech.bull.1985.2025-0676
分子模拟技术在植物体系的前沿应用与进展
Cutting-edge Applications and Advancements of Molecular Simulation in Plant Systems
摘要
Abstract
With the rapid advancement of computer technology,molecular simulation has demonstrated significant advantages in studying protein interaction mechanisms,transmembrane transport processes,and cell wall formation in plants.Focusing on the cutting-edge application of molecular simulation technology in plant systems in recent years,this review systematically summarizes the cutting-edge research progress of molecular simulation in plant systems.It focuses on the application of molecular dynamics,molecular docking,combined quantum mechanics/molecular mechanics methods and Monte Carlo simulation technology in plant cell walls,cell membranes,protein interactions and medicinal plant development,as well as analyzing and comparing the advantages and disadvantages of each method.Finally,the challenges are prospected while using molecular simulation in the study of plant systems.With the development of related fields such as machine learning,new algorithms and force field development,it is expected to further promote the application of molecular simulation technology in the plant field.This review systematically summarizes molecular simulation technologies in plant system research,aiming to offer innovative methodologies and perspectives for related studies in this field.关键词
分子模拟/植物/细胞壁/蛋白互作/药用植物/技术应用Key words
molecular simulation/plants/cell wall/protein interaction/medicinal plant/technical applications引用本文复制引用
曲航,张准,张叶卓,刘锡霖,李晔..分子模拟技术在植物体系的前沿应用与进展[J].生物技术通报,2026,42(2):136-148,13.基金项目
林木遗传育种全国重点实验室(北京林业大学)基本科研业务费项目(TGBFRF202507),国家重点研发计划(2022YFF0712500),高等学校学科创新引智计划(B13007),北京林业大学"5·5工程"科研创新团队项目(BLRC2023A01) （北京林业大学）
