DocumentCode
3615445
Title
Evolutionary algorithms for conformational analysis: vitamine E case study [ vitamine read vitamin]
Author
A. Wawer;F. Seredynski;P. Bouvry
fYear
2004
fDate
6/26/1905 12:00:00 AM
Firstpage
164
Abstract
Summary form only given. A new genetic algorithm for conformational analysis, field of pharmacy related to discovery and design of new drugs, is proposed. The objective is to find the optimal spatial configuration of a molecule, which corresponds to finding its energy minimum by rotation of torsion angles. Different evolutionary mechanisms have been studied and experimentally evaluated in order to fine-tune our algorithm. Finally the proposed solution is successfully applied to vitamin E.
Keywords
"Evolutionary computation","Algorithm design and analysis","Computer aided software engineering","Genetic algorithms","Drugs","Information technology","Computer science","Communications technology","Pharmaceutical technology","Information analysis"
Publisher
ieee
Conference_Titel
Parallel and Distributed Processing Symposium, 2004. Proceedings. 18th International
Print_ISBN
0-7695-2132-0
Type
conf
DOI
10.1109/IPDPS.2004.1303159
Filename
1303159
Link To Document