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Updated: Jan 16, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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通过模板引导的组合对接策略来预测蛋白质 - 连接体结构

Keqiong Zhang1, Qilong Wu1, Sheng-You Huang1

  • 1School of Physics, Huazhong University of Science and Technology, Wuhan, Hubei, People's Republic of China.

Proteins
|October 6, 2025
PubMed
概括

本研究介绍了一个模板引导的集体对接策略,用于CASP16.16中的蛋白质-连接体结构预测. 这种新的方法在38个团队中获得了第4名的排名,证明了它在预测带结合姿势方面的有效性.

关键词:
卡斯普 (CASP) 是一种发现药物的发现.带结合的结合方式分子对接的分子对接.蛋白质联体复合体的复合体基于模板的对接方式

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