Lenz Peter, Cho Samuel S, Wolynes Peter G
Fachbereich Physik, Philipps-Universität Marburg, D-35032 Marburg, Germany.
Chem Phys Lett. 2009 Mar 26;471(4-6):310-314. doi: 10.1016/j.cplett.2009.02.054.
Single molecule experiments that can track individual trajectories of biomolecular processes provide a challenge for understanding how these stochastic trajectories relate to the global energy landscape. Using trajectories from a native structure based simulation, we use order parameters that accurately distinguish between protein folding mechanisms that involve a simple, single set of pathways versus a complex one with multiple sets of competing pathways. We show how the folding dynamics can be analyzed with replica correlation functions in a way compatible with single molecule experiments.
能够追踪生物分子过程中单个轨迹的单分子实验，为理解这些随机轨迹如何与全局能量景观相关联带来了挑战。利用基于天然结构模拟的轨迹，我们使用序参量来准确区分涉及简单单一途径组的蛋白质折叠机制与具有多组竞争途径的复杂机制。我们展示了如何以与单分子实验兼容的方式，用副本相关函数来分析折叠动力学。
