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Updated: Jun 22, 2025

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

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几何优化算法与机器学习潜力ANI-2x一起,促进基于结构的虚拟选和绑定模式预测.

Luxuan Wang1, Xibing He1, Beihong Ji1

  • 1Department of Pharmaceutical Sciences, Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261, USA.

Biomolecules
|June 27, 2024
PubMed
概括

这项研究引入了一种新的计算方法,ANI-2x/CG-BS,该方法显著提高了分子对接的准确性. 改进的协议提高了识别候选药物的成功率,并完善了药物发现的结合性姿势预测.

关键词:
ANI-2x潜在的可能这是一个对接协议协议.虚拟选 虚拟选 虚拟选

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