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Xanthohumol is a potent pan-inhibitor of coronaviruses targeting main protease Y Lin, R Zang, Y Ma, Z Wang, L Li, S Ding, R Zhang, Z Wei, J Yang, ... International journal of molecular sciences 22 (22), 12134, 2021 | 37 | 2021 |
Application of reverse docking for target prediction of marine compounds with anti-tumor activity F Chen, Z Wang, C Wang, Q Xu, J Liang, X Xu, J Yang, C Wang, T Jiang, ... Journal of Molecular Graphics and Modelling 77, 372-377, 2017 | 34 | 2017 |
Large-scale simulation of quantum computational chemistry on a new sunway supercomputer H Shang, L Shen, Y Fan, Z Xu, C Guo, J Liu, W Zhou, H Ma, R Lin, Y Yang, ... SC22: International Conference for High Performance Computing, Networking …, 2022 | 30 | 2022 |
Structure-activity relationship of propylene glycol alginate sodium sulfate derivatives for blockade of selectins binding to tumor cells H Ma, P Qiu, M Xin, X Xu, Z Wang, H Xu, R Yu, X Xu, C Zhao, X Wang, ... Carbohydrate polymers 210, 225-233, 2019 | 23 | 2019 |
Zelnorm, an agonist of 5-Hydroxytryptamine 4-receptor, acts as a potential antitumor drug by targeting JAK/STAT3 signaling L Zhang, Q Song, X Zhang, L Li, X Xu, X Xu, X Li, Z Wang, Y Lin, X Li, M Li, ... Investigational New Drugs 38, 311-320, 2020 | 15 | 2020 |
Redesigning Vina@ QNLM for ultra-large-scale molecular docking and screening on a Sunway supercomputer H Lu, Z Wei, C Wang, J Guo, Y Zhou, Z Wang, H Liu Frontiers in Chemistry 9, 750325, 2021 | 10 | 2021 |
Discovery and evaluation of Atopaxar hydrobromide, a novel JAK1 and JAK2 inhibitor, selectively induces apoptosis of cancer cells with constitutively activated STAT3 J Sun, Y Du, X Zhang, Z Wang, Y Lin, Q Song, X Wang, J Guo, S Li, J Nan, ... Investigational New Drugs 38, 1003-1011, 2020 | 9 | 2020 |
以非洲猪瘟病毒 DNA 聚合酶 X 为靶点的海洋药物计算机虚拟筛选 王卓亚, 李阳阳, 徐锡明, 于日磊, 魏志强, 杨金波 中国海洋药物 37 (6), 1-7, 2018 | 6 | 2018 |
Molecular generation strategy and optimization based on A2C reinforcement learning in de novo drug design Q Wang, Z Wei, X Hu, Z Wang, Y Dong, H Liu Bioinformatics 39 (11), btad693, 2023 | 5 | 2023 |
Efficient Large-Scale Virtual Screening Based on Heterogeneous Many-Core Supercomputing System H Liu, C Wang, P Liu, C Liu, Z Wang, Z Wei IEEE Journal of Biomedical and Health Informatics 27 (7), 3579-3588, 2023 | 1 | 2023 |
swCUDA: Auto parallel code translation framework from CUDA to ATHREAD for new generation sunway supercomputer M Yu, G Ma, Z Wang, S Tang, Y Chen, Y Wang, Y Liu, D Jia, Z Wei CCF Transactions on High Performance Computing, 1-20, 2024 | | 2024 |
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