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Updated: Jul 23, 2025

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HydraMap v.2:用精细的统计潜力预测水化地点和溶解能量

Yan Li1, Zhe Zhang1, Renxiao Wang1

  • 1Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 201203, People's Republic of China.

Journal of chemical information and modeling
|July 11, 2023
PubMed
概括

在HydraMap v.2中,通过预测蛋白质 - 配体结合过程中的水化位变化和溶解能量,完善了分子建模. 这种改进的方法有助于理解结合机制并优化药物发现.

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