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.
|Number of pages||8|
|State||Published - 2001|
|Event||Congress on Evolutionary Computation 2001 - Soul, Korea, Republic of|
Duration: 27 May 2001 → 30 May 2001
|Conference||Congress on Evolutionary Computation 2001|
|Country/Territory||Korea, Republic of|
|Period||27/05/01 → 30/05/01|