In silico prediction and validation of CB2 allosteric binding sites to aid the design of allosteric modulators J Yuan, C Jiang, J Wang, CJ Chen, Y Hao, G Zhao, Z Feng, XQ Xie Molecules 27 (2), 453, 2022 | 14 | 2022 |
IsAb: a computational protocol for antibody design T Liang, H Chen, J Yuan, C Jiang, Y Hao, Y Wang, Z Feng, XQ Xie Briefings in Bioinformatics 22 (5), bbab143, 2021 | 11 | 2021 |
Discovery of Novel Chinese Medicine Compounds Targeting 3CL Protease by Virtual Screening and Molecular Dynamics Simulation J Cheng, Y Hao, Q Shi, G Hou, Y Wang, Y Wang, W Xiao, J Othman, J Qi, ... Molecules 28 (3), 937, 2023 | 4 | 2023 |
Metabolism-guided development of Ko143 analogs as ABCG2 inhibitors J Zhu, S Lei, J Lu, Y Hao, Q Qian, AS Devanathan, Z Feng, XQ Xie, P Wipf, ... European Journal of Medicinal Chemistry 259, 115666, 2023 | 3 | 2023 |
Molecular Modeling Study of a Receptor–Orthosteric Ligand–Allosteric Modulator Signaling Complex C Jiang, X He, Y Wang, CJ Chen, Y Othman, Y Hao, J Yuan, XQ Xie, ... ACS chemical neuroscience 14 (3), 418-434, 2023 | | 2023 |
Virus-CKB 2.0: Viral-Associated Disease-Specific Chemogenomics Knowledgebase Y Hao, M Chen, Y Othman, XQ Xie, Z Feng ACS omega 7 (42), 37476-37484, 2022 | | 2022 |