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.
|出版狀態||已出版 - 2001|
|事件||Congress on Evolutionary Computation 2001 - Soul, Korea, Republic of|
持續時間: 27 5月 2001 → 30 5月 2001
|???event.eventtypes.event.conference???||Congress on Evolutionary Computation 2001|
|國家/地區||Korea, Republic of|
|期間||27/05/01 → 30/05/01|