On the efficiency of local search methods for the molecular docking problem - Inria - Institut national de recherche en sciences et technologies du numérique Accéder directement au contenu
Communication Dans Un Congrès Année : 2009

On the efficiency of local search methods for the molecular docking problem

Salma Masmoudi
  • Fonction : Auteur
  • PersonId : 764217
  • IdRef : 183359275

Résumé

Evolutionary approaches to molecular docking typically hybridize with local search methods, more specifically, the Solis-Wet method. However, some studies indicated that local search methods might not be very helpful in the context of molecular docking. An evolutionary algorithm with proper genetic operators can perform equally well or even outperform hybrid evolutionary approaches. We show that this is dependent on the type of local search method. We also propose an evolutionary algorithm which uses the L-BFGS method as local search. Results demonstrate that this hybrid evolutionary outperforms previous approaches and is better suited to serve as a basis for evolutionary docking methods.

Dates et versions

hal-00837528 , version 1 (22-06-2013)

Identifiants

Citer

Jorge Tavares, Salma Masmoudi, El-Ghazali Talbi. On the efficiency of local search methods for the molecular docking problem. EvoBio 2009 - 7th European Conference on Evolutionary Computation, Machine Learning and Data Mining in Bioinformatics, Apr 2009, Tubingen, Germany. pp.104-115, ⟨10.1007/978-3-642-01184-9_10⟩. ⟨hal-00837528⟩
117 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More