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Background In this study, we extended the replica exchange Monte Carlo (REMC) sampling method to protein–small molecule docking conformational prediction using RosettaLigand. In contrast to the traditional Monte Carlo (MC) and REMC sampling methods, these methods use multi-objective optimization Pareto front information to facilitate the selection of replicas for exchange. Results The Pareto front...
In this paper, we propose to integrate particle swarm optimization algorithm into cultural algorithms frame to develop a more efficient cultural particle swarm algorithms (CPSA) for constrained multi-objective optimization problem. In our CPSA, the population space of cultural algorithms consists of n+1 subswarms which are used to search for the n single-objective optimums and an additional multiobjective...
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