Reconstructing the Most Probable Folding Transition Path from Replica Exchange Molecular Dynamics Simulations

• Published in: Journal of chemical theory and computation Vol. 9; no. 8; pp. 3750 - 3755
• Main Authors: Jimenez-Cruz, Camilo Andres, Garcia, Angel E
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 13.08.2013

The characterization of transition pathways between long-lived states, and the identification of the corresponding transition state ensembles are useful tools in the study of rare events such as protein folding. In this work we demonstrate how the most probable transition path between metastable sta...