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Updated: Jun 22, 2025

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
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Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

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通过整合药理和预训练模型,提高药物向相互作用识别的概括性和性能

Zuolong Zhang1, Xin He1,2, Dazhi Long3

  • 1School of Software, Henan University, Kaifeng, Henan Province 475000, China.

Bioinformatics (Oxford, England)
|June 28, 2024
PubMed
概括

HeteroDTA通过整合化合物药理和蛋白质结构来增强药物标结合亲和力 (DTA) 的预测. 这种新的深度学习方法提高了药物发现的准确性和概括性.

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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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