Global optimization by energy landscape paving
Document Type
Article
Publication Date
2-11-2002
Abstract
A new and general stochastic global optimization method that is easy to implement and combines energy landscape deformation ideas with elements of tabu search was developed. To illustrate the power of the approach, it was applied to the structure prediction of HP-36, a 36-residue peptide. For this large peptide, an unbiased all-atom simulation using ELP led to a 3D structure very close to the experimentally determined one.
Publication Title
Physical Review Letters
Recommended Citation
Hansmann, U.,
&
Wille, L.
(2002).
Global optimization by energy landscape paving.
Physical Review Letters,
88(6), 68105/1-68105/4.
http://doi.org/10.1103/PhysRevLett.88.068105
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/10107