Article
Landscape approaches for determining the ensemble of folding transition states: success and failure hinge on the degree of frustration.
Proceedings of the National Academy of Sciences of the United States of America - 18 Jan 2000
Nymeyer H, Socci N D, Onuchic J N
Abstract excerpt
We present a method for determining structural properties of the ensemble of folding transition states from protein simulations. This method relies on thermodynamic quantities (free energies as a function of global reaction coordinates, such as the percentage of native contacts) and not on "kinetic" measurements (rates, transmission coefficients, complete trajectories); consequently, it requires fewer...
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