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Title: Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application

Abstract

Evolutionary programs (EPs) and evolutionary pattern search algorithms (EPSAS) are two general classes of evolutionary methods for optimizing on continuous domains. The relative performance of these methods has been evaluated on standard global optimization test functions, and these results suggest that EPSAs more robustly converge to near-optimal solutions than EPs. In this paper we evaluate the relative performance of EPSAs and EPs on a real-world application: flexible ligand binding in the Autodock docking software. We compare the performance of these methods on a suite of docking test problems. Our results confirm that EPSAs and EPs have comparable performance, and they suggest that EPSAs may be more robust on larger, more complex problems.

Authors:
Publication Date:
Research Org.:
Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
3571
Report Number(s):
SAND99-0350C
TRN: AH200112%%487
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Conference
Resource Relation:
Conference: Genetic and Evolutionary Computation Conference, Orlando, FL (US), 07/13/1999--07/17/1999; Other Information: PBD: 10 Feb 1999
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; ALGORITHMS; GENETICS; OPTIMIZATION; PERFORMANCE

Citation Formats

Hart, W E. Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application. United States: N. p., 1999. Web.
Hart, W E. Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application. United States.
Hart, W E. Wed . "Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application". United States. https://www.osti.gov/servlets/purl/3571.
@article{osti_3571,
title = {Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application},
author = {Hart, W E},
abstractNote = {Evolutionary programs (EPs) and evolutionary pattern search algorithms (EPSAS) are two general classes of evolutionary methods for optimizing on continuous domains. The relative performance of these methods has been evaluated on standard global optimization test functions, and these results suggest that EPSAs more robustly converge to near-optimal solutions than EPs. In this paper we evaluate the relative performance of EPSAs and EPs on a real-world application: flexible ligand binding in the Autodock docking software. We compare the performance of these methods on a suite of docking test problems. Our results confirm that EPSAs and EPs have comparable performance, and they suggest that EPSAs may be more robust on larger, more complex problems.},
doi = {},
url = {https://www.osti.gov/biblio/3571}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1999},
month = {2}
}

Conference:
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