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ABSTRACT:
SUBMITTER: Kreuzer SM
PROVIDER: S-EPMC3716791 | biostudies-literature | 2013 Sep
REPOSITORIES: biostudies-literature
Kreuzer Steven M SM Moon Tess J TJ Elber Ron R
The Journal of chemical physics 20130901 12
The first events of unfolding of secondary structure under load are considered with Molecular Dynamics simulations and Milestoning analysis of a long helix (126 amino acids). The Mean First Passage Time is a non-monotonic function of the applied load with a maximum of 3.6 ns at about 20 pN. Network analysis of the reaction space illustrates the opening and closing of an off-pathway trap that slows unfolding at intermediate load levels. It is illustrated that the nature of the reaction networks c ...[more]