Using the multi-objective optimization replica exchange Monte Carlo enhanced sampling method for protein-small molecule docking.
Hongrui WangHongwei LiuLeixin CaiCaixia WangQiang LvPublished in: BMC Bioinform. (2017)
Keyphrases
- monte carlo
- multi objective optimization
- multi objective
- evolutionary algorithm
- monte carlo simulation
- importance sampling
- genetic algorithm
- markov chain
- adaptive sampling
- nsga ii
- monte carlo methods
- multi objective optimization problems
- multi objective genetic algorithm
- pareto optimal
- multiple objectives
- multi objective evolutionary algorithms
- particle filter
- differential evolution
- bi objective
- protein sequences
- monte carlo tree search
- multi objective genetic algorithms
- markovian decision
- complex optimization problems
- drug discovery
- temporal difference
- optimization algorithm
- optimization problems
- matrix inversion
- stochastic approximation
- pareto optimal solutions
- evaluation function