Evolutionary Monte Carlo for protein folding simulations

Citation
Fm. Liang et Wh. Wong, Evolutionary Monte Carlo for protein folding simulations, J CHEM PHYS, 115(7), 2001, pp. 3374-3380
Citations number
41
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
7
Year of publication
2001
Pages
3374 - 3380
Database
ISI
SICI code
0021-9606(20010815)115:7<3374:EMCFPF>2.0.ZU;2-L
Abstract
We demonstrate that evolutionary Monte Carlo (EMC) can be applied successfu lly to simulations of protein folding on simple lattice models, and to find ing the ground state of a protein. In all cases, EMC is faster than the gen etic algorithm and the conventional Metropolis Monte Carlo, and in several cases it finds new lower energy states. We also propose one method for the use of secondary structures in protein folding. The numerical results show that it is drastically superior to other methods in finding the ground stat e of a protein. (C) 2001 American Institute of Physics.