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Updated: Jan 7, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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发现针对FGF14/Nav1.6复合体的命中化合物中的强度和结合亲和力的分子决定因素

Hamid Teimouri1, Zahra Haghighijoo2, Timothy J Baumgartner2

  • 1Department of Pharmacology and Toxicology, University of Texas Medical Branch, Galveston, TX, USA. hateimou@utmb.edu.

Journal of cheminformatics
|December 10, 2025
PubMed
概括

研究人员确定了控制向FGF14-Nav1.6蛋白相互作用的化合物的强度和结合的关键分子特征. 这一发现有助于通过优化药物设计来开发神经精神疾病的新疗法.

关键词:
代数相似性 代数相似性联邦政府基金14打击化合物 打击化合物领导优化优化 领导优化分子描述器分子描述器Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred Mordred导航1.6 在线导航

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