分子模拟技术在食品领域中的应用研究进展  

Research and application status of molecular simulation technology in food field

作　　者：毕新健 文诗雨 屈婷敏 吴昊[1] 谢雨菲 文李[1] BI Xinjian;WEN Shiyu;QU Tingmin;WU Hao;XIE Yufei;WEN Li(School of Food Science and Bioengineering,Changsha University of Science&Technology,Changsha,Hunan 410014,China)

机构地区：[1]长沙理工大学食品与生物工程学院,湖南长沙410014

出　　处：《食品与机械》2024年第5期1-10,95,共11页Food and Machinery

基　　金：国家自然科学基金青年项目(编号:32201963);国家自然科学基金面上项目(编号:31972077);湖南省自然科学基金青年项目(编号:2023JJ40018)。

摘　　要：从食品领域的上游实验室研发到下游工厂生产过程中,有许多问题无法用传统试验方法从宏观上得到解决。分子模拟技术不仅简洁高效、成本低廉,还可以通过对分子行为的分析快速预测或解释试验结果,是连接微观与宏观的重要工具。文章阐述了食品领域分子模拟技术的基本原理,梳理了食品领域分子模拟技术常用的数据库和软件及其特点,综述了近几年分子模拟技术在食品安全、食品加工和贮藏、食品功能因子筛选及其机制研究领域中的应用研究进展。In the food field,a large number of phenomena and problems that are difficult to be macroscopically explained by traditional experimental methods occur during the process of research and development in upstream laboratories to production in downstream factories.Molecular simulation techniques are not only efficient and cost-effective,but also an important tool for connecting micro and macro scales,because molecular models can be used to study molecular behaviors at the atomic level,and thus predict and explain experimental results.This review summarized the commonly used software and databases for molecular simulation techniques,and introduced their applications in recent years in the fields of food safety,food processing and storage,and screening of food functional factors and their mechanisms.

关 键 词：分子模拟技术 分子对接模拟 分子动力学模拟 食品安全 食品加工与贮藏 食品功能因子 

分 类 号：TS20[轻工技术与工程—食品科学]