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method for identifying protein-drug interactions, and, computer product.
method for identifying protein-drug interactions, and, computer product.
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机译:识别蛋白质-药物相互作用的方法,以及计算机产品。
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摘要
Described herein are methods of predicting drug-target interactions and method of using the information for drug repurposing. The methods described herein combine different descriptors including, for example, shape, topology and chemical signatures, physico-chemical functional descriptors, contact points of the ligand and the target protein, chemical similarity, and docking score.
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