Conformational analysis of peptides using Monte Carlo simulations combinedwith the genetic algorithm

Authors
Wang, JM Hou, TJ Chen, LR Xu, XJ
Citation
Jm. Wang et al., Conformational analysis of peptides using Monte Carlo simulations combinedwith the genetic algorithm, CHEM INTELL, 45(1-2), 1999, pp. 347-351
Citations number
10
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
ISSN journal
01697439 → ACNP
Volume
45
Issue
1-2
Year of publication
1999
Pages
347 - 351
Database
ISI
SICI code
0169-7439(19990118)45:1-2<347:CAOPUM>2.0.ZU;2-P
Abstract
In this paper, genetic algorithm (GA) was used to both sample the conformat ional spaces and thoroughly search the global conformations of peptides. de lta-conotoxin PVIA, a peptide of 29 amino acids, was used to test our proce dure. The results indicated that this procedure could not only successfully explore a set of the conformational spaces using a hybrid Monte Carlo simu lations/GA minimization but also find the global conformations for most of peptides using pure GA minimization. (C) 1999 Elsevier Science B.V. All rig hts reserved.