MOLECULAR DYNAMICS SIMULATIONS OF PROTEINS & NUCLEIC ACIDS

分子动力学和自由能模拟方法， 被用来研究结构，灵活性和动力学 各种蛋白质和核酸系统在溶液中。 溶剂化分子动力学模拟给出了现实的信息 序列特异性核酸结构、水合作用和动力学 从而了解功能。 连续统方法已被应用 作为一种分析工具，可以深入了解 各种系统。 我们工作的重点是发展 精确的力场参数和环境对 核酸结构 我们正在广泛使用MidasPlus作为我们的 可视化工具。

Molecular dynamics and free energy simulation methodologies have been employed to investigate the structure, flexibility and dynamics of a variety of protein and nucleic acid systems in solution. Solvated molecular dynamics simulations give realistic information into sequence specific nucleic acid structure, hydration and dynamics which give insight into function. Continuum methods have been applied as an analysis tool to give insight into the relative energetics of a variety of systems. The focus of our work is the development of accurate force field parameters and dependence of the environment on nucleic acid structure. We are using MidasPlus extensively as our visualization tool.