The dominant reaction pathway (DRP) is an algorithm to microscopically compute the most
probable reaction pathways in the overdamped Langevin dynamics without investing
computational time in simulating the local thermal motion in the metastable configurations. In
order to test the accuracy of such a method, we investigate the dynamics of the folding of a β
hairpin within a model that accounts for both native and non-native interactions. We
compare the most probable folding pathways calculated with the DRP method with the …