Mechanical Modeling and Computer Simulation of Protein Folding
Mechanical Modeling and Computer Simulation of Protein Folding
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蛋白质折叠的机械建模和计算机模拟
DOI：
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
Sharlene Denos
中科院分区：
文献类型：
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作者：
Maxim B. Prigozhin;Gregory E. Scott;Sharlene Denos
在这项活动中，科学教育和现代技术被连接起来，向高中和本科生传授蛋白质折叠知识，并加强他们的模型构建技能。学生将从蛋白质作为刚性晶体结构的教科书图片引导到更现实的观点：蛋白质是活细胞内异质环境中的高度动态生物分子。简单的机械模型和计算机模拟，随着教学的进展而发展其复杂性是本课的核心。采用统计学和物理化学（热力学和动力学）的方法来研究肽的灵活版本，该肽可以在折叠的集合内对各种构象进行采样，并最终展开成无规卷曲。
In this activity, science education and modern technology are bridged to teach students at the high school and undergraduate levels about protein folding and to strengthen their model building skills. Students are guided from a textbook picture of a protein as a rigid crystal structure to a more realistic view: proteins are highly dynamic biological molecules in the heterogeneous environment inside the living cell. Simple mechanical models and computer simulations that evolve in their complexity as the instruction progresses are at the core of this lesson. Methods of statistics and physical chemistry (thermodynamics and kinetics) are employed to investigate a flexible version of a peptide that can sample various conformations within the folded ensemble and ultimately unfold into a random coil.