The interrelationship between "folding" kinetics and the corresponding multidimensional potential energy landscapes was explored for three alanine hexapeptides using the master equation approach. To help visualize the kinetics of the polypeptide, the time evolution of the probability density was projected onto the first two principal coordinates. As a result, the relative role of funnels, traps and "bottlenecks" that are likely to exist on complex molecular energy landscapes was clarified.
|Number of pages||15|
|Journal||Journal of Chemical Physics|
|State||Published - 8 Dec 2001|