| In silico ADME/T modelling for rational drug design Y Wang, J Xing, Y Xu, N Zhou, J Peng, Z Xiong, X Liu, X Luo, C Luo, ... Quarterly reviews of biophysics 48 (4), 488-515, 2015 | 316 | 2015 |
| Artificial intelligence in drug design F Zhong, J Xing, X Li, X Liu, Z Fu, Z Xiong, D Lu, X Wu, J Zhao, X Tan, F Li, ... Science China Life Sciences 61, 1191-1204, 2018 | 187 | 2018 |
| MoCL: data-driven molecular fingerprint via knowledge-aware contrastive learning from molecular graph M Sun, J Xing, H Wang, B Chen, J Zhou Proceedings of the 27th ACM SIGKDD conference on knowledge discovery & data …, 2021 | 121* | 2021 |
| Discovery of highly potent, selective, and orally efficacious p300/CBP histone acetyltransferases inhibitors Y Yang, R Zhang, Z Li, L Mei, S Wan, H Ding, Z Chen, J Xing, H Feng, ... Journal of medicinal chemistry 63 (3), 1337-1360, 2020 | 96 | 2020 |
| Modulating TRADD to restore cellular homeostasis and inhibit apoptosis D Xu, H Zhao, M Jin, H Zhu, B Shan, J Geng, SA Dziedzic, P Amin, ... Nature 587 (7832), 133-138, 2020 | 63 | 2020 |
| Machine-learning-assisted approach for discovering novel inhibitors targeting bromodomain-containing protein 4 J Xing, W Lu, R Liu, Y Wang, Y Xie, H Zhang, Z Shi, H Jiang, YC Liu, ... Journal of Chemical Information and Modeling 57 (7), 1677-1690, 2017 | 45 | 2017 |
| TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds X Liu, Y Gao, J Peng, Y Xu, Y Wang, N Zhou, J Xing, X Luo, H Jiang, ... Bioinformatics 31 (12), 2049-2051, 2015 | 40 | 2015 |
| Discovery and optimization of selective inhibitors of protein arginine methyltransferase 5 by docking-based virtual screening Y Ye, B Zhang, R Mao, C Zhang, Y Wang, J Xing, YC Liu, X Luo, H Ding, ... Organic & biomolecular chemistry 15 (17), 3648-3661, 2017 | 36 | 2017 |
| Deciphering COVID-19 host transcriptomic complexity and variations for therapeutic discovery against new variants J Xing, R Shankar, M Ko, K Zhang, S Zhang, A Drelich, S Paithankar, ... Iscience 25 (10), 2022 | 35* | 2022 |
| Aldehyde oxidase mediated metabolism in drug-like molecules: a combined computational and experimental study Y Xu, L Li, Y Wang, J Xing, L Zhou, D Zhong, X Luo, H Jiang, K Chen, ... Journal of Medicinal Chemistry 60 (7), 2973-2982, 2017 | 34 | 2017 |
| Discovery of Novel Disruptor of Silencing Telomeric 1-Like (DOT1L) Inhibitors using a Target-Specific Scoring Function for the (S)-Adenosyl-l-methionine (SAM … Y Wang, L Li, B Zhang, J Xing, S Chen, W Wan, Y Song, H Jiang, H Jiang, ... Journal of Medicinal Chemistry 60 (5), 2026-2036, 2017 | 31 | 2017 |
| Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues H Jiang, J Xing, C Wang, H Zhang, L Yue, X Wan, W Chen, H Ding, Y Xie, ... Organic & Biomolecular Chemistry 15 (44), 9352-9361, 2017 | 29 | 2017 |
| OCTAD: an open workspace for virtually screening therapeutics targeting precise cancer patient groups using gene expression features B Zeng, BS Glicksberg, P Newbury, E Chekalin, J Xing, K Liu, A Wen, ... Nature protocols 16 (2), 728-753, 2021 | 28 | 2021 |
| Discovery of novel inhibitors of indoleamine 2, 3-dioxygenase 1 through structure-based virtual screening G Zhang, J Xing, Y Wang, L Wang, Y Ye, D Lu, J Zhao, X Luo, M Zheng, ... Frontiers in pharmacology 9, 277, 2018 | 25 | 2018 |
| Rational design of 5-((1H-imidazol-1-yl) methyl) quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors J Xing, R Zhang, X Jiang, T Hu, X Wang, G Qiao, J Wang, F Yang, X Luo, ... European Journal of Medicinal Chemistry 163, 281-294, 2019 | 19 | 2019 |
| Gene expression signatures identify paediatric patients with multiple organ dysfunction who require advanced life support in the intensive care unit R Shankar, ML Leimanis, PA Newbury, K Liu, J Xing, D Nedveck, EJ Kort, ... EBioMedicine 62, 2020 | 18 | 2020 |
| Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma W Chen, H Zhang, Z Chen, H Jiang, L Liao, S Fan, J Xing, Y Xie, S Chen, ... Oncogenesis 7 (11), 83, 2018 | 15 | 2018 |
| Deep neural network classifier for virtual screening inhibitors of (S)-adenosyl-l-methionine (SAM)-dependent methyltransferase family F Li, X Wan, J Xing, X Tan, X Li, Y Wang, J Zhao, X Wu, X Liu, Z Li, X Luo, ... Frontiers in Chemistry 7, 324, 2019 | 10 | 2019 |
| Inactivation of the antidiabetic drug acarbose by human intestinal microbial-mediated degradation J Tian, C Li, Z Dong, Y Yang, J Xing, P Yu, Y Xin, F Xu, L Wang, Y Mu, ... Nature metabolism 5 (5), 896-909, 2023 | 9 | 2023 |
| Molsearch: search-based multi-objective molecular generation and property optimization M Sun, J Xing, H Meng, H Wang, B Chen, J Zhou Proceedings of the 28th ACM SIGKDD conference on knowledge discovery and …, 2022 | 9 | 2022 |
Mingyue ZhengShanghai Institute of Materia Medica, Chinese Academy of SciencesVerified email at simm.ac.cn
