Topics in Protein Folding and Protein Dynamics

Devarajan Thirumalai得到了理论和 继续他的统计力学研究 蛋白质折叠和蛋白质动力学的处理。 工作建议如下： 四个主要方面：1）发展简单的非格模型 代表蛋白质的α碳， 构象是四个螺旋束; 2）分子动力学研究 变性剂对蛋白质去折叠和重折叠的影响 使用最小模型; 3）将最小模型扩展到更多 现实的模型，包括侧链的影响，可以使用 模拟真实的蛋白质;和4）使用瞬时正常模式， 描述了蛋白质势能表面的崎岖景观， 并进一步表征蛋白质动力学和最佳反应 使用这些技术的途径。 这一理论方法将提供基本的理解 蛋白质的折叠特性。 这个问题目前处于前沿 蛋白质研究的基础，以及对蛋白质研究中 影响蛋白质折叠将对 生物技术产业。

Devarajan Thirumalai is supported by a grant from the Theoretical and Computational to continue his research in statistical mechanical treatment of protein folding and protein dynamics. Work is proposed in four major areas: 1) the development of simple off lattice models representing the alpha carbons of proteins whose target native conformations are four helix bundles; 2) molecular dynamics studies of the effect of denaturants on the unfolding and refolding of proteins using minimal models; 3) extension of the minimal models to more realistic models that include the effects of side chains that can be used to model real proteins; and 4) use of instantaneous normal modes to characterize the rugged landscape of protein potential energy surfaces, and to further characterize the protein dynamics and optimal reaction pathways using these techniques. This theoretical approach will provide the basic understanding of the folding properties of protein. This problem is currently at the frontier of protein research, and a basic understanding of the factors that influence protein folding will have an enormous impact on the biotechnology industry.