| Uni-mol: A universal 3d molecular representation learning framework G Zhou, Z Gao, Q Ding, H Zheng, H Xu, Z Wei, L Zhang, G Ke | 207 | 2023 |
| Uni-Dock: GPU-accelerated docking enables ultralarge virtual screening Y Yu, C Cai, J Wang, Z Bo, Z Zhu, H Zheng Journal of chemical theory and computation 19 (11), 3336-3345, 2023 | 32 | 2023 |
| Do deep learning models really outperform traditional approaches in molecular docking? Y Yu, S Lu, Z Gao, H Zheng, G Ke arXiv preprint arXiv:2302.07134, 2023 | 31 | 2023 |
| Uni-GBSA: An open-source and web-based automatic workflow to perform MM/GB (PB) SA calculations for virtual screening M Yang, Z Bo, T Xu, B Xu, D Wang, H Zheng Briefings in Bioinformatics 24 (4), bbad218, 2023 | 16 | 2023 |
| Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation? G Zhou, Z Gao, Z Wei, H Zheng, G Ke arXiv preprint arXiv:2302.07061, 2023 | 11 | 2023 |
| Uni-dock: a GPU-accelerated docking program enables ultra-large virtual screening Y Yu, C Cai, Z Zhu, H Zheng | 7 | 2022 |
| Uni-Mol: a universal 3D molecular representation learning framework. 2023 G Zhou, Z Gao, Q Ding, H Zheng, H Xu, Z Wei, L Zhang, G Ke There is no corresponding record for this reference, 0 | 7 | |
| UNI-GBSA: An automatic workflow to perform mm/gb (pb) sa calculations for virtual screening M Yang, D Wang, H Zheng | 5 | 2022 |
| Uni-qsar: an auto-ml tool for molecular property prediction Z Gao, X Ji, G Zhao, H Wang, H Zheng, G Ke, L Zhang arXiv preprint arXiv:2304.12239, 2023 | 4 | 2023 |
| UMD-fit: Generating Realistic Ligand Conformations for Distance-Based Deep Docking Models E Alcaide, Z Li, H Zheng, Z Gao, G Ke NeurIPS 2023 Generative AI and Biology (GenBio) Workshop, 2023 | 3 | 2023 |
| Dflow, a Python framework for constructing cloud-native AI-for-Science workflows X Liu, Y Han, Z Li, J Fan, C Zhang, J Zeng, Y Shan, Y Yuan, WH Xu, ... arXiv preprint arXiv:2404.18392, 2024 | 2 | 2024 |
| Bridging Machine Learning and Thermodynamics for Accurate pKa Prediction W Luo, G Zhou, Z Zhu, Y Yuan, G Ke, Z Wei, Z Gao, H Zheng JACS Au, 2024 | 1 | 2024 |
| Synergistic application of molecular docking and machine learning for improved binding pose Y Li, H Lin, H Yang, Y Yuan, R Zou, G Zhou, L Zhang, H Zheng National Science Open 3 (2), 20230058, 2024 | 1 | 2024 |
| Synergistic Application of Molecular Docking and Machine Learning for Improved Protein-Ligand Binding Pose Prediction H Yang, H Lin, Y Yuan, Y Li, R Zou, G Zhou, L Zhang, H Zheng | 1 | 2023 |
| 3D Molecular Generation via Virtual Dynamics S Lu, L Yao, X Chen, H Zheng, D He, G Ke arXiv preprint arXiv:2302.05847, 2023 | 1 | 2023 |
| 3D Molecular Generation by Virtual Dynamics S Lu, L Yao, X Chen, H Zheng, G Ke | 1 | 2022 |
| Uni-Mol2: Exploring Molecular Pretraining Model at Scale X Ji, W Zhen, Z Gao, H Zheng, L Zhang, G Ke arXiv preprint arXiv:2406.14969, 2024 | | 2024 |
| Efficient and Precise Force Field Optimization for Biomolecules Using DPA-2 J Chang, D Zhang, Y Deng, H Lin, Z Liu, L Zhang, H Zheng, X Wang arXiv preprint arXiv:2406.09817, 2024 | | 2024 |
| Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction E Alcaide, Z Gao, G Ke, Y Li, L Zhang, H Zheng, G Zhou arXiv preprint arXiv:2405.11769, 2024 | | 2024 |
| Multimodal Protein-Ligand Contrastive Pretraining for Effective and Efficient Drug Discovery Z Wang, Z Wang, M Yang, L Pang, F Nie, S Liu, Z Gao, G Zhao, X Ji, ... bioRxiv, 2024.08. 22.609123, 2024 | | 2024 |
Guolin KeDP TechnologyVerified email at dp.tech
