| MolMiner: you only look once for chemical structure recognition Y Xu, J Xiao, CH Chou, J Zhang, J Zhu, Q Hu, H Li, N Han, B Liu, S Zhang, ... Journal of Chemical Information and Modeling 62 (22), 5321-5328, 2022 | 22 | 2022 |
| Machine Learning-Driven Discovery and Structure–Activity Relationship Analysis of Conductive Metal–Organic Frameworks J Lin, H Zhang, M Asadi, K Zhao, L Yang, Y Fan, J Zhu, Q Liu, L Sun, ... Chemistry of Materials 36 (11), 5436–5445, 2024 | 9 | 2024 |
| DiffBindFR: an SE (3) equivariant network for flexible protein–ligand docking J Zhu, Z Gu, J Pei, L Lai Chemical Science 15 (21), 7926-7942, 2024 | 8 | 2024 |
| DiffBind: A SE (3) Equivariant Network for Accurate Full-Atom Semi-Flexible Protein-Ligand Docking J Zhu, Z Gu, J Pei, L Lai arXiv preprint arXiv:2311.15201, 2023 | 2 | 2023 |
| Deltadock: A unified framework for accurate, efficient, and physically reliable molecular docking J Yan, Z Zhang, J Zhu, K Zhang, J Pei, Q Liu In The Thirty-eighth Annual Conference on Neural Information Processing Systems., 2024 | 1 | 2024 |
| DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction Prediction H Lin, S Wang, J Zhu, Y Li, J Pei, L Lai arXiv preprint arXiv:2401.10806, 2024 | 1 | 2024 |
| Target-based de novo design of cyclic peptide binders F Wang, T Zhang, J Zhu, X Zhang, C Zhang, L Lai bioRxiv, 2025.01. 18.633746, 2025 | | 2025 |
| MMFuncPhos: A Multi‐Modal Learning Framework for Identifying Functional Phosphorylation Sites and Their Regulatory Types J Xie, R Dong, J Zhu, H Lin, S Wang, L Lai Advanced Science, 2410981, 2025 | | 2025 |
| rsc. li/chemical-science J Zhu, Z Gu, J Pei, L Lai | | 2024 |
| Toward In Silico Design of Protein–Protein Interaction Stabilizers J Zhu, L Lai, J Pei ACS Central Science 9 (5), 861-863, 2023 | | 2023 |
