Efficient sampling of protein structures by model hopping |
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| Authors: | Kwak Wooseop Hansmann Ulrich H E |
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| Institution: | Department of Physics, Michigan Technological University, Houghton, Michigan 49931-1295, USA. wkwak@mtu.edu |
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| Abstract: | 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. |
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