中国科学院计算技术研究所机构知识库

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	Utilizing machine learning-based QSAR model to overcome standalone consensus docking limitation in beta-lactamase inhibitors screening: a proof-of-concept study 期刊论文 BMC CHEMISTRY, 2024, 卷号: 18, 期号: 1, 页码: 16 作者:  Pitakbut, Thanet;  Munkert, Jennifer;  Xi, Wenhui;  Wei, Yanjie;  Fuhrmann, Gregor 收藏  |  浏览/下载：4/0  |  提交时间：2025/06/25 Molecular docking  Consensus docking  Random forest-based QSAR model  Beta-lactamase inhibitory screening
	Identification of Key Genes as Potential Drug Targets for Gastric Cancer 期刊论文 TSINGHUA SCIENCE AND TECHNOLOGY, 2023, 卷号: 28, 期号: 4, 页码: 649-664 作者:  Hossain, Md. Tofazzal;  Reza, Md. Selim;  Peng, Yin;  Feng, Shengzhong;  Wei, Yanjie 收藏  |  浏览/下载：40/0  |  提交时间：2023/07/12 gastric cancer  hub genes  candidate genes  molecular docking  candidate drugs
	Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds 期刊论文 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 页码: 9 作者:  Saravanan, Konda Mani;  Zhang, Haiping;  Senthil, Renganathan;  Vijayakumar, Kevin Kumar;  Sounderrajan, Vignesh;  Wei, Yanjie;  Shakila, Harshavardhan 收藏  |  浏览/下载：121/0  |  提交时间：2020/12/10 SARS-CoV2  main protease  medicinal plants  molecular docking and dynamics  drug design