DeepScaffold: a comprehensive tool for Scaffold-based de novo drug discovery using deep learning Y Li, J Hu, Y Wang, J Zhou, L Zhang, Z Liu Journal of Chemical Information and Modeling 60 (1), 77-91, 2019 | 126 | 2019 |
Rational Design of Dimeric Lysine N-Alkylamides as Potent and Broad-Spectrum Antibacterial Agents Y Niu, M Wang, Y Cao, A Nimmagadda, J Hu, Y Wu, J Cai, XS Ye Journal of medicinal chemistry 61 (7), 2865-2874, 2018 | 54 | 2018 |
Graph-based generative models for de Novo drug design X Xia, J Hu, Y Wang, L Zhang, Z Liu Drug Discovery Today: Technologies, 2020 | 46 | 2020 |
The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing Q Luo, L Zhao, J Hu, H Jin, Z Liu, L Zhang PloS one 12 (2), e0171433, 2017 | 36 | 2017 |
Comprehensive analysis of human IgG Fc N-glycopeptides and construction of a screening model for colorectal cancer Y Zou, J Hu, J Jie, J Lai, M Li, Z Liu, X Zou Journal of Proteomics 213, 103616, 2020 | 20 | 2020 |
Privileged Scaffold Analysis of Natural Products with Deep Learning‐based Indication Prediction Model J Lai, J Hu, Y Wang, X Zhou, Y Li, L Zhang, Z Liu Molecular Informatics, 2020 | 14 | 2020 |
TF3P: A New Three-dimensional Force Fields Fingerprint Learned by Deep Capsular Network Y Wang, J Hu, J Lai, Y Li, H Jin, L Zhang, LR Zhang, Z Liu Journal of Chemical Information and Modeling, 2020 | 14 | 2020 |
Development of functional dendrisomes based on a single molecule of polyesterbenzylether dendrimer and their application in cancer stem cell therapy LM Mu, L Liu, R Liu, JL Duan, S Ma, XQ Li, YN Cui, ZB Su, X Zhang, ... NPG Asia Materials 11 (1), 1-16, 2019 | 12 | 2019 |
Analysis of traditional Chinese medicine prescriptions based on support vector machine and analytic hierarchy process ZL Jin, JX Hu, HW Jin, LR Zhang, ZM Liu Zhongguo Zhong yao za zhi= Zhongguo zhongyao zazhi= China journal of Chinese …, 2018 | 10 | 2018 |
Cheminformatics analysis of the Chinese national compound library of Peking University J Hu, C Lv, Z Liu, L Zhang J Chin Pharm Sci 25, 696-675, 2016 | 5 | 2016 |
Calcium‐Mobilizing Behaviors of Neutral Cyclic ADP‐Ribose Mimics that Integrate Modifications to the Nucleobase, Northern Ribose and Pyrophosphate X Wang, X Zhang, K Zhang, J Hu, Z Liu, H Jin, L Zhang, L Zhang ChemBioChem 19 (13), 1444-1451, 2018 | 3 | 2018 |
In silico pharmacophore models to predict endogenous substrates for human multidrug resistance-associated proteins Y Liu, Y Chen, J Hu, Z Liu, L Zhang | | |