• español
    • English
  • English 
    • español
    • English
  • Login
View Item 
  •   RIO Home
  • PUBLICACIONES UPO
  • Revistas UPO
  • GECONTEC: Revista Internacional de Gestión del Conocimiento y la Tecnología
  • GECONTEC Vol. 2, núm. 3 (2014)
  • View Item
  •   RIO Home
  • PUBLICACIONES UPO
  • Revistas UPO
  • GECONTEC: Revista Internacional de Gestión del Conocimiento y la Tecnología
  • GECONTEC Vol. 2, núm. 3 (2014)
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Minimum Population Search, an Application to Molecular Docking

URI
http://hdl.handle.net/10433/2778
Export
RefworksMendeleyEndNote
Share
Statistics
View Usage Statistics
Metadata
Show full item record
Authorship
Bolufé-Röhler, Antonio; Coto-Santiesteban, Alex; Soto, Marta Rosa; Chen, Stephen
Palabras clave
Minimum Population Search
Molecular Docking
Heuristic Algorithms
Optimization
Multi-modality
Publication date
2014
Abstract
Computer modeling of protein-ligand interactions is one of the most important phases in a drug design process. Part of the process involves the optimization of highly multi-modal objective (scoring) functions. This research presents the Minimum Population Search heuristic as an alternative for solving these global unconstrained optimization problems. To determine the effectiveness of Minimum Population Search, a comparison with seven state-of-the-art search heuristics is performed. Being specifically designed for the optimization of large scale multi-modal problems, Minimum Population Search achieves excellent results on all of the tested complexes, especially when the amount of available function evaluations is strongly reduced. A first step is also made toward the design of hybrid algorithms based on the exploratory power of Minimum Population Search. Computational results show that hybridization leads to a further improvement in performance.
Collections
  • GECONTEC Vol. 2, núm. 3 (2014) [4]

BIBLIOTECA CRAI  ©  2015 Universidad Pablo de Olavide
Contact Us | Legal warning
 

 

Browse

All of RIOCommunities and CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

My Account

LoginRegister

Statistics

View Usage Statistics

Of interest

HelpFaqDeposit documentsPoliciesCopyrightRegulation

BIBLIOTECA CRAI  ©  2015 Universidad Pablo de Olavide
Contact Us | Legal warning