Abstract
In this paper, genetic algorithm (GA) was used to both sample the conformational spaces and thoroughly search the global conformations of peptides. δ-conotoxin PVIA, a peptide of 29 amino acids, was used to test our procedure. The results indicated that this procedure could not only successfully explore a set of the conformational spaces using a hybrid Monte Carlo simulations/GA minimization but also find the global conformations for most of peptides using pure GA minimization.
Original language | English (US) |
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Pages (from-to) | 347-351 |
Number of pages | 5 |
Journal | Chemometrics and Intelligent Laboratory Systems |
Volume | 45 |
Issue number | 1-2 |
DOIs | |
State | Published - Jan 18 1999 |
Keywords
- Conformational analysis
- Genetic algorithm
- Monte Carlo simulations
- Peptide
ASJC Scopus subject areas
- Analytical Chemistry
- Software
- Process Chemistry and Technology
- Spectroscopy
- Computer Science Applications