Article
Common structural transitions in explicit-solvent simulations of villin headpiece folding.
Biophysical journal - 21 Oct 2009
Freddolino Peter L, Schulten Klaus
Abstract excerpt
Molecular dynamics simulations of protein folding can provide very high-resolution data on the folding process; however, due to computational challenges most studies of protein folding have been limited to small peptides, or made use of approximations such as Gō potentials or implicit solvent models. We have performed a set of molecular dynamics simulations totaling >50 micros on the villin headpiece subdomain,...
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