| Activity origin and design principles for oxygen reduction on dual-metal-site catalysts: a combined density functional theory and machine learning study X Zhu, J Yan, M Gu, T Liu, Y Dai, Y Gu, Y Li The Journal of Physical Chemistry Letters 10 (24), 7760-7766, 2019 | 174 | 2019 |
| An adaptive graph learning method for automated molecular interactions and properties predictions Y Li, CY Hsieh, R Lu, X Gong, X Wang, P Li, S Liu, Y Tian, D Jiang, J Yan, ... nature machine intelligence 4 (7), 645-651, 2022 | 35 | 2022 |
| Fiber-shaped electrochemical capacitors based on plasma-engraved graphene fibers with oxygen vacancies for alternating current line filtering performance J Zhao, Y Zhang, J Yan, X Zhao, J Xie, X Luo, J Peng, J Wang, L Meng, ... ACS Applied Energy Materials 2 (2), 993-999, 2019 | 20 | 2019 |
| A systematic survey in geometric deep learning for structure-based drug design Z Zhang, J Yan, Q Liu, E Chen, M Zitnik arXiv preprint arXiv:2306.11768, 2023 | 16 | 2023 |
| RHGN: Relation-gated Heterogeneous Graph Network for Entity Alignment in Knowledge Graphs X Liu, K Zhang, Y Liu, E Chen, Z Huang, L Yue, J Yan Findings of the Association for Computational Linguistics: ACL 2023, 8683-8696, 2023 | 12 | 2023 |
| Multi-task bioassay pre-training for protein-ligand binding affinity prediction J Yan, Z Ye, Z Yang, C Lu, S Zhang, Q Liu, J Qiu Briefings in Bioinformatics 25 (1), bbad451, 2024 | 7 | 2024 |
| Deltadock: A unified framework for accurate, efficient, and physically reliable molecular docking J Yan, Z Zhang, J Zhu, K Zhang, J Pei, Q Liu arXiv preprint arXiv:2410.11224, 2024 | 1 | 2024 |
| MSP: A Multi-level Structures-based Framework with Multi-level Pre-training for Protein-Ligand Binding Affinity Prediction R Li, J Yan, K Zhang 2024 International Conference on Computational Linguistics and Natural …, 2024 | | 2024 |
| Multi-scale Iterative Refinement towards Robust and Versatile Molecular Docking J Yan, Z Zhang, K Zhang, Q Liu arXiv preprint arXiv:2311.18574, 2023 | | 2023 |
Yafei LiNanjing Normal UniversityVerified email at njnu.edu.cn
