Using molecular visualization to explore protein structure and function and enhance student facility with computational tools
Using molecular visualization to explore protein structure and function and enhance student facility with computational tools
复制标题
使用分子可视化探索蛋白质结构和功能，并通过计算工具增强学生的能力
DOI：
--
复制
发表时间：
2017
影响因子：
1.4
通讯作者：
L. Listenberger
中科院分区：
文献类型：
--
作者：
C. Terrell;L. Listenberger
认识到本科生可以从3D蛋白质结构和功能的分析中受益，我们为生物化学I学生开发了一个为期数周的基于探究的分子可视化项目。该项目使用环氧合酶-1（考克斯-1）的虚拟模型来指导学生进行多层次的蛋白质结构分析。第一个作业是通过生成和检查蛋白质序列比对来探索一级结构。随后的作业介绍了三维可视化软件来探索二级、三级和四级结构。学生设计一种抑制剂，根据酶活性位点的审查，并使用计算的结合能评估分子的适合性。在最后一份作业中，学生引入一个点突变来模拟相关考克斯-2酶的活性位点，并分析突变对抑制剂结合的影响。通过这个项目，我们的目标是增加知识和信心，使用在线数据库和计算工具。在这里，我们分享了我们的混合方法的调查前和调查后的结果，展示了学生在使用在线数据库和计算工具方面的知识和信心。© 2017由国际生物化学和分子生物学联合会，45（4）：318-328，2017。
Recognizing that undergraduate students can benefit from analysis of 3D protein structure and function, we have developed a multiweek, inquiry‐based molecular visualization project for Biochemistry I students. This project uses a virtual model of cyclooxygenase‐1 (COX‐1) to guide students through multiple levels of protein structure analysis. The first assignment explores primary structure by generating and examining a protein sequence alignment. Subsequent assignments introduce 3D visualization software to explore secondary, tertiary, and quaternary structure. Students design an inhibitor, based on scrutiny of the enzyme active site, and evaluate the fit of the molecule using computed binding energies. In the last assignment, students introduce a point mutation to model the active site of the related COX‐2 enzyme and analyze the impact of the mutation on inhibitor binding. With this project we aim to increase knowledge about, and confidence in using, online databases and computational tools. Here, we share results of our mixed methods pre‐ and postsurvey demonstrating student gains in knowledge about, and confidence using, online databases and computational tools. © 2017 by The International Union of Biochemistry and Molecular Biology, 45(4):318–328, 2017.