| Antigen-specific antibody design and optimization with diffusion-based generative models for protein structures S Luo, Y Su, X Peng, S Wang, J Peng, J Ma Advances in Neural Information Processing Systems 35, 9754-9767, 2022 | 218 | 2022 |
| Pocket2mol: Efficient molecular sampling based on 3d protein pockets X Peng, S Luo, J Guan, Q Xie, J Peng, J Ma International Conference on Machine Learning, 17644-17655, 2022 | 199 | 2022 |
| 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction J Guan, WW Qian, X Peng, Y Su, J Peng, J Ma The Eleventh International Conference on Learning Representations (ICLR 2023), 2023 | 162 | 2023 |
| Boosting the Cycle Counting Power of Graph Neural Networks with I -GNNs Y Huang, X Peng, J Ma, M Zhang The Eleventh International Conference on Learning Representations (ICLR 2023), 2022 | 49 | 2022 |
| 3DLinker: An E (3) Equivariant Variational Autoencoder for Molecular Linker Design Y Huang, X Peng, J Ma, M Zhang Thirty-ninth International Conference on Machine Learning (ICML 2022), 2022 | 49 | 2022 |
| MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation X Peng, J Guan, Q Liu, J Ma Fortieth International Conference on Machine Learning (ICML 2023), 2023 | 43 | 2023 |
| Characterizing the interaction conformation between T-cell receptors and epitopes with deep learning X Peng, Y Lei, P Feng, L Jia, J Ma, D Zhao, J Zeng Nature machine intelligence 5 (4), 395-407, 2023 | 29 | 2023 |
| LinkerNet: fragment poses and linker co-design with 3D equivariant diffusion J Guan, X Peng, P Jiang, Y Luo, J Peng, J Ma Advances in Neural Information Processing Systems 36, 2024 | 9 | 2024 |
| Elucidation of protein–ligand interactions by multiple trajectory analysis methods N Wu, R Zhang, X Peng, L Fang, K Chen, JS Jestilä Physical Chemistry Chemical Physics 26 (8), 6903-6915, 2024 | 9 | 2024 |
| Pocket-specific 3d molecule generation by fragment-based autoregressive diffusion models X Peng, J Guan, J Peng, J Ma | 5 | 2023 |
| MobilePrune: Neural Network Compression via ℓ0 Sparse Group Lasso on the Mobile System Y Shao, K Zhao, Z Cao, Z Peng, X Peng, P Li, Y Wang, J Ma Sensors 22 (11), 4081, 2022 | 4 | 2022 |
| Group ligands docking to protein pockets J Guan, J Li, X Zhou, X Peng, S Wang, Y Luo, J Peng, J Ma arXiv preprint arXiv:2501.15055, 2025 | 1 | 2025 |
| Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design X Zhou, J Guan, Y Zhang, X Peng, L Wang, J Ma arXiv preprint arXiv:2410.20688, 2024 | | 2024 |
| Rag2Mol: Structure-based drug design based on Retrieval Augmented Generation P Zhang, X Peng, R Han, T Chen, J Ma bioRxiv, 2024.10. 20.619266, 2024 | | 2024 |
| Geometric Representation Condition Improves Equivariant Molecule Generation Z Li, C Zhou, X Wang, X Peng, M Zhang arXiv preprint arXiv:2410.03655, 2024 | | 2024 |
| Decipher Fundamental Atomic Interactions to Unify Generative Molecular Docking and Design X Peng, R Guo, Y Xu, J Guan, Y Jia, Y Huang, M Zhang, J Peng, J Sun, ... bioRxiv, 2024.10. 17.618827, 2024 | | 2024 |
