Global optimization by energy landscape paving.
We introduce a novel heuristic global optimization method, energy landscape paving (ELP), which combines core ideas from energy surface deformation and tabu search. In appropriate limits, ELP reduces to existing techniques. The approach is very general and flexible and is illustrated here on two protein folding problems. For these examples, the technique gives faster convergence to the global minimum than previous approaches.
Hansmann
Ulrich H E
UH
Department of Physics, Michigan Technological University, Houghton, Michigan 49931, USA.
Wille
Luc T
LT
D004744:Enkephalin, Methionine / Q000737:chemistry*; D008956:Models, Chemical; D008962:Models, Theoretical; D016900:Neurofilament Proteins / Q000737:chemistry*; D010446:Peptide Fragments / Q000737:chemistry*; D017510:Protein Folding; D013816:Thermodynamics
D016900:Neurofilament Proteins; D010446:Peptide Fragments; C115223:villin headpiece subdomain peptide; D004744:Enkephalin, Methionine