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Updated: May 31, 2026

Protein Target Prediction and Validation of Small Molecule Compound
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Protein Target Prediction and Validation of Small Molecule Compound

Published on: February 23, 2024

在CASP16中,CoDock集团对药物和核酸标的联结预测

Ren Kong1, Zunyun Jiang2, Xufeng Lu3

  • 1Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, Jiangsu, China.

Proteins
|August 1, 2025
PubMed
概括

这项研究提出了在药物设计中对联体结合预测的强有力的策略,结合了对接,多重构造和AI评分. 这种方法在蛋白质 - 配体结合的姿势预测方面取得了成功,并确定机器学习在亲和度排名方面优越.

关键词:
卡斯普 (CASP) 是一种这就是CoDock-ligand.亲缘关系预测的预测.连带结合预测的预测.

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