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A five-dimensional data collection strategy for multicomponent discovery and characterization in Traditional Chinese Medicine: Gastrodia Rhizoma as a case study 期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2021, 卷号: 1653, 页码: 12
作者:  Zhu, Haodong;  Wu, Xingdong;  Huo, Jiangyan;  Hou, Jinjun;  Long, Huali
收藏  |  浏览/下载:94/0  |  提交时间:2021/11/04
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge 期刊论文
PLOS COMPUTATIONAL BIOLOGY, 2021, 卷号: 17, 期号: 9, 页码: 19
作者:  Xiong, Zhaoping;  Jeon, Minji;  Allaway, Robert J.;  Kang, Jaewoo;  Park, Donghyeon
收藏  |  浏览/下载:21/0  |  提交时间:2021/11/04
Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry 期刊论文
ACTA PHARMACEUTICA SINICA B, 2021, 卷号: 11, 期号: 6, 页码: 1469-1492
作者:  Yu, Yang;  Yao, Changliang;  Guo, De-an
收藏  |  浏览/下载:41/0  |  提交时间:2021/08/17
Systematic characterization of chemical constituents in Mahuang decoction by UHPLC tandem linear ion trap-Orbitrap mass spectrometry coupled with feature-based molecular networking 期刊论文
JOURNAL OF SEPARATION SCIENCE, 2021, 页码: 11
作者:  Chen, Ling;  Yao, Changliang;  Li, Jiayuan;  Wang, Jing;  Yao, Shuai
收藏  |  浏览/下载:15/0  |  提交时间:2021/08/17
An enhanced strategy integrating offline superimposed two-dimensional separation with mass defect filter and diagnostic ion filter: Comprehensive characterization of steroid alkaloids in Fritillariae Pallidiflorae Bulbus as a case study 期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2021, 卷号: 1643, 页码: 10
作者:  An, Ya-ling;  Wei, Wen-long;  Li, Hao-jv;  Li, Zhen-wei;  Yao, Chang-liang
收藏  |  浏览/下载:49/0  |  提交时间:2021/05/24
Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes 期刊论文
CHEMICAL SCIENCE, 2020, 卷号: 11, 期号: 44, 页码: 12124-12129
作者:  Chen, Chao;  Shi, Chen;  Yang, Yaxi;  Zhou, Bing
收藏  |  浏览/下载:13/0  |  提交时间:2020/12/24
Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family 期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 17
作者:  Li, Fei;  Wan, Xiaozhe;  Xing, Jing;  Tan, Xiaoqin;  Li, Xutong
收藏  |  浏览/下载:7/0  |  提交时间:2020/07/01
An enhanced strategy integrating offline two-dimensional separation and step-wise precursor ion list-based raster-mass defect filter: Characterization of indole alkaloids in five botanical origins of Uncariae Ramulus Cum Unicis as an exemplary application 期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2018, 卷号: 1563, 页码: 124-134
作者:  Pan, Huiqin;  Yao, Changliang;  Yang, Wenzhi;  Yao, Shuai;  Huang, Yong
收藏  |  浏览/下载:45/0  |  提交时间:2019/01/08
Parallelization of Molecular Docking: A Review 期刊论文
CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2018, 卷号: 18, 期号: 12, 页码: 1015-1028
作者:  Dong, Dong;  Xu, Zhijian;  Wu, Zhong;  Peng, Shaoliang
收藏  |  浏览/下载:19/0  |  提交时间:2019/01/08
Effective Conformational Sampling in Explicit Solvent with Gaussian Biased Accelerated Molecular Dynamics 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4240-4252
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载:6/0  |  提交时间:2019/01/08


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