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Updated: Jan 6, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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用于对接屏幕的AlphaFold

Amauri Duarte da Silva1, Walter Filgueira de Azevedo2

  • 1Graduate Program in Information Technologies and Health Management, Federal University of Health Sciences of Porto Alegre, Porto Alegre, RS, Brazil.

Methods in molecular biology (Clifton, N.J.)
|October 11, 2025
PubMed
概括

这项研究使用AlphaFold蛋白结构和Molegro虚拟Docker来预测循环林依赖激酶19 (CDK19) 抑制. 建立了一个神经网络模型,以指导CDK19的抗癌药物开发,这种蛋白质缺乏实验数据.

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.循环素依赖性激酶 19 的作用.这是一个对接屏幕.莫莱格罗数据模型模型评分功能的空间空间.

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Genetic Screens

Genetic screens are tools used to identify genes and mutations responsible for phenotypes of interest. Genetic screens help identify individuals or a group of people at risk of developing  genetic diseases and help them with early intervention, targeted therapy, and reproductive options.
Forward genetic screens
Forward or “classical” genetic screens involve creating random mutations in an organism’s DNA using radiation, mutagens, or insertion of additional bases, which...
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