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PREDICTION METHOD, AND METHOD FOR DESIGNING POTENTIAL CANDIDATE COMPOUND FOR INHIBITOR INHIBITING PROTEIN-PROTEIN INTERACTION INTERFACE BY USING PREDICTION METHOD
PREDICTION METHOD, AND METHOD FOR DESIGNING POTENTIAL CANDIDATE COMPOUND FOR INHIBITOR INHIBITING PROTEIN-PROTEIN INTERACTION INTERFACE BY USING PREDICTION METHOD
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机译:预测方法及使用该预测方法设计抑制抑制剂的蛋白-蛋白质相互作用界面的潜在候选化合物的方法
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摘要
PROBLEM TO BE SOLVED: To provide a method for predicting a bonding position of an inhibitor which inhibits an interface of protein-protein interaction, and a method for designing the inhibitor.SOLUTION: The prediction method includes the processes of: acquiring structure information of protein performing known protein-protein interaction and a known inhibitor which inhibits an interface of the interaction; selecting residues from the structure information; extracting two arbitrary residues from among the selected residues and creating a regression line; acquiring structure information of a target protein to be predicted and its partner protein; selecting residues from the structure information; extracting two arbitrary residues from among the selected residues, and determining whether or not the two arbitrary residues can be candidates for a position at which a model inhibitor binds to the protein to be predicted; and predicting a position at which the model inhibitor binds to the protein to be predicted.SELECTED DRAWING: Figure 4
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