Subpicosecond Resolution Studies of Internal Motions in Proteins

将在蛋白质内部运动的超快时间分辨测量和基于分子动力学的蛋白质运动计算之间建立直接联系。实验将采用吸收和发射各向异性技术来研究取向校正函数和序参量。其目的是提供一套明确的测量，以匹配当前的模拟技术，并评估潜在模型的充分性。此外，将对精心选择的蛋白质（包括溶剂）进行互补模拟。近年来，由于蛋白质分子的内部运动在蛋白质功能中可能具有重要意义，因此引起了人们的广泛关注。研究蛋白质动力学的各种技术已经发展起来。时间分辨光谱学和计算机技术的进步延长了实验和模拟的时间尺度，从而开始有可能进行直接比较。//弗莱明博士研究的主要目的是尽可能清楚而直接地进行这些比较

A direct connection will be made between ultrafast time resolved measurements of the internal motions of proteins and calculations of protein motion based on molecular dynamics. The experiments will use both absorption and emission anisotropy techniques to study orientational correction functions and order parameters. The aim is to provide a definite set of measurements against which to match current simulation techniques and assess the adequacy of the potential model. In addition, complementary simulations of carefully chosen proteins including solvent will be carried out. The internal motions of protein molecules have generated much interest in recent years because of their possible significance in protein function. A variety of techniques for the study of protein dynamics have been developed. Improvements in time resolved spectroscopy and computers are extending the time scale of both experiment and simulation so that it is beginning to be possible to make direct comparisions. The major aim of Dr. Fleming's research is to make these comparisions in as clear and direct a way as possible.//