Numerical construction of the p(fold) (committor) reaction coordinate for a Markov process.

Abstract

To simplify the description of a complex multidimensional dynamical process, one often projects it onto a single reaction coordinate. In protein folding studies, the folding probability p(fold) is an optimal reaction coordinate which preserves many important properties of the dynamics. The construction of the coordinate is difficult. Here, an efficient… (More)
DOI: 10.1021/jp205231b