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A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling 期刊论文
JOURNAL OF CHEMINFORMATICS, 2021, 卷号: 13, 期号: 1, 页码: 17
作者:  Wang, Dingyan;  Yu, Jie;  Chen, Lifan;  Li, Xutong;  Jiang, Hualiang
收藏  |  浏览/下载:60/0  |  提交时间:2021/11/04
Molecular simulation studies of the interactions between the human/ pangolin/cat/bat ACE2 and the receptor binding domain of the SARS-CoV-2 spike protein 期刊论文
BIOCHIMIE, 2021, 卷号: 187, 页码: 1-13
作者:  Ma, Shaojie;  Li, Hui;  Yang, Jun;  Yu, Kunqian
收藏  |  浏览/下载:68/0  |  提交时间:2021/08/17
Exploration of the SAR Connection between Morphinan- and Arylacetamide-Based kappa Opioid Receptor (kappa OR) Agonists Using the Strategy of Bridging 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2021, 卷号: 12, 期号: 6, 页码: 1018-1030
作者:  Liu, Xiao;  Jiang, Shuang;  Kong, Linghui;  Ye, Rongrong;  Xiao, Li
收藏  |  浏览/下载:113/0  |  提交时间:2021/05/24
Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca2+ ions and L-tryptophan 期刊论文
CELL RESEARCH, 2021, 页码: 12
作者:  Ling, Shenglong;  Shi, Pan;  Liu, Sanling;  Meng, Xianyu;  Zhou, Yingxin
收藏  |  浏览/下载:20/0  |  提交时间:2021/05/24
Pharmacokinetic Drug-drug Interaction of Antibiotics Used in Sepsis Care in China 期刊论文
CURRENT DRUG METABOLISM, 2021, 卷号: 22, 期号: 1, 页码: 5-23
作者:  Yu, Xuan;  Chu, Zixuan;  Li, Jian;  He, Rongrong;  Wang, Yaya
收藏  |  浏览/下载:68/0  |  提交时间:2021/05/24
Proanthocyanidin Block Arrays (PACBAR) for Comprehensive Capture and Delineation of Proanthocyanidin Structures 期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2020, 卷号: 68, 期号: 47, 页码: 13541-13549
作者:  Jing, Shuxi;  Zeller, Wayne E.;  Ferreira, Daneel;  Zhou, Bin;  Nam, Joo-Won
收藏  |  浏览/下载:8/0  |  提交时间:2021/05/24
Medulloblastoma: Molecular understanding, treatment evolution, and new developments 期刊论文
PHARMACOLOGY & THERAPEUTICS, 2020, 卷号: 210, 页码: 13
作者:  Liu, Xiaohua;  Ding, Chunyong;  Tan, Wenfu;  Zhang, Ao
收藏  |  浏览/下载:20/0  |  提交时间:2020/07/01
Fructo-oligosaccharides from Morinda officinalis remodeled gut microbiota and alleviated depression features in a stress rat model 期刊论文
PHYTOMEDICINE, 2020, 卷号: 67, 页码: 12
作者:  Chi, Liandi;  Khan, Imran;  Lin, Zibei;  Zhang, Jiwen;  Lee, M. Y. Simon
收藏  |  浏览/下载:29/0  |  提交时间:2020/07/01
Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods 期刊论文
CURRENT PHARMACEUTICAL DESIGN, 2020, 卷号: 26, 期号: 33, 页码: 4195-4205
作者:  Ding, Xiaoyu;  Cui, Chen;  Wang, Dingyan;  Zhao, Jihui;  Zheng, Mingyue
收藏  |  浏览/下载:14/0  |  提交时间:2020/12/21
Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods 期刊论文
FRONTIERS IN PHARMACOLOGY, 2019, 卷号: 10, 页码: 11
作者:  Wang, Dingyan;  Cui, Chen;  Ding, Xiaoyu;  Xiong, Zhaoping;  Zheng, Mingyue
收藏  |  浏览/下载:55/0  |  提交时间:2020/07/01


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