Article
Quantitative comparison of villin headpiece subdomain simulations and triplet-triplet energy transfer experiments.
Proceedings of the National Academy of Sciences of the United States of America - 2 Aug 2011
Beauchamp Kyle A, Ensign Daniel L, Das Rhiju, Pande Vijay S
Abstract excerpt
As the fastest folding protein, the villin headpiece (HP35) serves as an important bridge between simulation and experimental studies of protein folding. Despite the simplicity of this system, experiments continue to reveal a number of surprises, including structure in the unfolded state and complex equilibrium dynamics near the native state. Using 2.5 ms of molecular dynamics and Markov state models, we connect...
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