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Updated: Sep 14, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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关于不同抗体与5-HT1AR结合的机械洞察:分子对接和分子动力学模拟研究

Lulu Guan1, Dushuo Feng1, Jingxuan Ge2

  • 1Department of Sport and Exercise Science, College of Education, Zhejiang University, 866 Yuhangtang Road, Hangzhou, Zhejiang 310058, P. R. China.

Journal of chemical information and modeling
|July 23, 2025
PubMed
概括

这项研究使用了分子模拟来研究六种血清素1A受体 (5-HT1AR) 抗剂如何结合. 莱科佐坦显示出最高的结合亲和力,为开发新的抑郁症和认知功能障碍疗法提供了洞察力.

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