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

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

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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:: Hart, W E

Publication Date:: 1999-02-10

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

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                    Hart, W E. Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application.  United States: N. p., 1999. 
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                    Hart, W E. Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application.  United States.

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                    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.

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@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}

}

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