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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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共价对接软件格局:药物设计中的特征和应用

Natesh Singh1, Philippe Vayer2, Bruno O Villoutreix2

  • 1Evotec SE, Molecular Architects, Integrated Drug Discovery, Campus Curie, 195 Rte d'Espagne, 31100 Toulouse, France.

Briefings in bioinformatics
|December 31, 2025
PubMed
概括

共价小分子干提供增强的药物效力,但构成设计挑战. 包括人工智能在内的新计算工具正在改进这些强大的候选药物的理性设计和虚拟查.

关键词:
接收人 接收人人工智能驱动的药物设计同价对接对接是共价对接.发现药物的发现.

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