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Updated: Jun 14, 2025

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Published on: July 25, 2013

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通过AlphaFold2-RAVE授权AlphaFold2进行蛋白质构成选择性药物发现

Xinyu Gu1,2, Akashnathan Aranganathan1,3, Pratyush Tiwary1,2,4

  • 1Institute for Physical Science and Technology, University of Maryland, College Park, United States.

eLife
|September 6, 2024
PubMed
概括

这项研究引入了AF2RAVE-Glide,这是一种用于预测小分子药物与转移稳定的蛋白质构成结合的新框架. 这种方法通过能够针对具有挑战性的蛋白质状态来增强药物发现,从而提高虚拟查准确度.

关键词:
阿尔法折叠是什么意思阿尔法折叠人工智能的人工智能是人工智能.停靠的对接方式增强采样 提升采样人类 人类 人类 人类 人类 人类 人类分子生物物理学分子生物物理学分子模拟分子模拟结构生物学结构生物学

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