Integrating adaptive mutations and family competition with differential evolution for flexible ligand docking

Jinn-Moon Yang*, J. T. Horng, C. Y. Kao

*Corresponding author for this work

Research output: Contribution to conferencePaperpeer-review

4 Scopus citations

Abstract

A flexible ligand docking protocol based on evolutionary algorithms is investigated. The proposed approach integrates decreasing-based mutations and self-adaptive mutations with differential evolution. This approach possesses global and local search strategies to balances the trade-off between exploitation and exploration of the search. The proposed approach is applied to a dihydrofolate reductase enzyme with the anti-cancer drug methotrexate and two analogues of antibacterial drug trimethoprim. Numerical results indicate that the new approach is very robust.

Original languageEnglish
Pages473-480
Number of pages8
DOIs
StatePublished - May 2001
EventCongress on Evolutionary Computation 2001 - Soul, Korea, Republic of
Duration: 27 May 200130 May 2001

Conference

ConferenceCongress on Evolutionary Computation 2001
Country/TerritoryKorea, Republic of
CitySoul
Period27/05/0130/05/01

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