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Discovery of thalidomide-based PROTAC small molecules as the highly efficient SHP2 degraders 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 218, 页码: 14
作者:  Yang, Xiangbo;  Wang, Zhijia;  Pei, Yuan;  Song, Ning;  Xu, Lei
收藏  |  浏览/下载:40/0  |  提交时间:2021/08/17
Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 12, 页码: 6523-6537
作者:  Zhao, Jihui;  Cui, Rongrong;  Wang, Lihao;  Chen, Yingjia;  Fu, Zunyun
收藏  |  浏览/下载:25/0  |  提交时间:2020/12/24
Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: A Combined Computational and Experimental Study 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2017, 卷号: 60, 期号: 7, 页码: 2973-2982
作者:  Xu, Yuan;  Li, Liang;  Wang, Yulan;  Xing, Jing;  Zhou, Lei
收藏  |  浏览/下载:12/0  |  提交时间:2019/01/08
Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2016, 卷号: 56, 期号: 9, 页码: 1847-1855
作者:  Xu, Yuan;  Yue, Liyan;  Wang, Yulan;  Xing, Jin;  Chen, Zhifeng
收藏  |  浏览/下载:20/0  |  提交时间:2019/01/08
e-Science Platform Construction Accelerates the Development of Rational Drug Design 期刊论文
Bulletin of the Chinese Academy of Sciences, 2016, 卷号: 31, 期号: 6, 页码: 624-638
作者:  Hu Junchi;  Xu Pan;  Chen Yantao;  Liu Tingting;  Lu Dong
收藏  |  浏览/下载:16/0  |  提交时间:2019/01/08
In silico ADME/T modelling for rational drug design 期刊论文
QUARTERLY REVIEWS OF BIOPHYSICS, 2015, 卷号: 48, 期号: 4, 页码: 488-515
作者:  Wang, Yulan;  Xing, Jing;  Xu, Yuan;  Zhou, Nannan;  Peng, Jianlong
收藏  |  浏览/下载:11/0  |  提交时间:2019/01/08
Combinatorial Pharmacophore Modeling of Multidrug and Toxin Extrusion Transporter 1 Inhibitors: a Theoretical Perspective for Understanding Multiple Inhibitory Mechanisms 期刊论文
SCIENTIFIC REPORTS, 2015, 卷号: 5
作者:  Xu, Yuan;  Liu, Xian;  Wang, Yulan;  Zhou, Nannan;  Peng, Jianlong
收藏  |  浏览/下载:17/0  |  提交时间:2019/01/08
TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds 期刊论文
BIOINFORMATICS, 2015, 卷号: 31, 期号: 12, 页码: 2049-2051
作者:  Liu, Xian;  Gao, Yuan;  Peng, Jianlong;  Xu, Yuan;  Wang, Yulan
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2015, 卷号: 16, 期号: 6, 页码: 13407-13426
作者:  Zhou, Nannan;  Xu, Yuan;  Liu, Xian;  Wang, Yulan;  Peng, Jianlong
收藏  |  浏览/下载:17/0  |  提交时间:2019/01/08
In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion 期刊论文
JOURNAL OF CHEMINFORMATICS, 2014, 卷号: 6
作者:  Liu, Xian;  Xu, Yuan;  Li, Shanshan;  Wang, Yulan;  Peng, Jianlong
收藏  |  浏览/下载:16/0  |  提交时间:2019/01/08


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