The invention discloses a differential-evolution
protein-structure head-beginning prediction method based on the multistage subpopulation
coevolution strategy. The differential-evolution
protein-structure head-beginning prediction method includes the following steps that under a differential-evolution
algorithm framework, the conformational space dimensionality is reduced through a Rosetta
Score3 coarse-
granularity knowledge energy model; an evolution
population is divided into a plurality of subpopulations according to the similarity,
coevolution is carried out on the subpopulations, and the individual diversity of the
population can be improved; the evolutionary process is divided into three stages, different variation
crossover strategies are adopted at different stages, and the
premature convergence problem can be solved; the conformational space can be effectively sampled in cooperation with the high global searching ability of the differential-evolution
algorithm, and the high-accuracy conformation close to the
natural state is obtained through searching. Based on the differential-evolution
algorithm, the differential-evolution
protein-structure head-beginning prediction method based on the multistage subpopulation
coevolution strategy is low in conformational space searching dimension and high in convergence speed and prediction accuracy.