| SARS-CoV-2 Omicron RBD shows weaker binding affinity than the currently dominant Delta variant to human ACE2 L Wu, L Zhou, M Mo, T Liu, C Wu, C Gong, K Lu, L Gong, W Zhu, Z Xu Signal transduction and targeted therapy 7 (1), 1-3, 2022 | 218 | 2022 |
| Exploring the immune evasion of SARS-CoV-2 variant harboring E484K by molecular dynamics simulations L Wu, C Peng, Y Yang, Y Shi, L Zhou, Z Xu, W Zhu Briefings in bioinformatics 23 (1), bbab383, 2022 | 18 | 2022 |
| D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19 Y Yang, D Zhou, X Zhang, Y Shi, J Han, L Zhou, L Wu, M Ma, J Li, S Peng, ... Briefings in Bioinformatics, 2022 | 17 | 2022 |
| Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay L Zhou, T Liu, M Mo, Y Shi, L Wu, Y Li, Q Qin, W Zhu, C Wu, L Gong, Z Xu Journal of chemical information and modeling 62 (18), 4512-4522, 2022 | 10 | 2022 |
| Conserved protein targets for developing pan-coronavirus drugs based on sequence and 3D structure similarity analyses M Ma, Y Yang, L Wu, L Zhou, Y Shi, J Han, Z Xu, W Zhu Computers in Biology and Medicine, 105455, 2022 | 6 | 2022 |
| Predicting spike protein NTD mutations of SARS-CoV-2 causing immune escape by molecular dynamics simulations L Zhou, L Wu, C Peng, Y Yang, Y Shi, L Gong, Z Xu, W Zhu Physical Chemistry Chemical Physics, 2022 | 6 | 2022 |
| D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening Y Shi, X Zhang, Y Yang, T Cai, C Peng, L Wu, L Zhou, J Han, M Ma, ... Computers in Biology and Medicine, 107283, 2023 | 4 | 2023 |
| Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery L Wu, G Wang, L Zhou, M Mo, Y Shi, B Li, L Yin, Q Zhao, Y Yang, C Wu, ... Computers in Biology and Medicine 153, 106515, 2023 | 2 | 2023 |
| Preferred microenvironments of halogen bonds and hydrogen bonds revealed using statistics and QM/MM calculation studies L Zhou, J Li, Y Shi, L Wu, W Zhu, Z Xu Physical Chemistry Chemical Physics, 2023 | 2 | 2023 |
| Discovery of zolinium TSG1180 as a novel agonist of transgelin-2 for treating asthma HK Yuan, B Li, L Wu, XL Wang, ZY Lv, Z Liu, Z Xu, J Lu, CT Chen, ... Biomedicine & Pharmacotherapy 167, 115556, 2023 | | 2023 |
Zhijian Xu (徐志建)Professor, Shanghai Institute of Materia Medica, Chinese Academy of SciencesEmail verificata su simm.ac.cn
