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.