Efficient sampling of protein structures by model hopping.
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ABSTRACT:
SUBMITTER: Kwak W
PROVIDER: S-EPMC1356668 | biostudies-literature | 2005 Sep
REPOSITORIES: biostudies-literature
Publications
Efficient sampling of protein structures by model hopping.
Kwak Wooseop W Hansmann Ulrich H E UH
Physical review letters 20050922 13
We introduce a novel simulation method, model hopping, that enhances sampling of low-energy configurations in complex systems. The approach is illustrated for a protein-folding problem. Thermodynamic quantities of proteins with up to 46 residues are evaluated from all-atom simulations with this method. ...[more]
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