DEVICE AND METHOD FOR PREDICTING TERTIARY STRUCTURE MODEL OF POLYPEPTIDE, AND TERTIARY STRUCTURE MODEL PREDICTION PROGRAM FOR USE IN THEM

摘要

PROBLEM TO BE SOLVED: To provide a technology capable of accurately and efficiently ab initio prediction of a tertiary structure model of a polypeptide.

SOLUTION: A tertiary structure model prediction device 100 for predicting a tertiary structure model of a polypeptide comprises a prediction target acquisition part 102 for acquiring prediction target sequence data that is the amino acid sequence of a polypeptide to be predicted, a fragment model acquisition part 106 for acquiring a plurality of fragment models that should be fragments of tertiary structure models, an intermediate model generation part 110 for coupling a plurality of fragment models while being overlapped with adjacent fragment models and positioned at junctions of both fragment ends to generate a fragment-coupled intermediate model having a sequence corresponding to the prediction target sequence data, and a tertiary structure model generation part 116 for folding one or more of the plurality of junctions included in the fragment-coupled intermediate model to generate a tertiary structure model of the prediction target sequence data.

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