| 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 | 129 | 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 | 23 | 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 | 19 | 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 | 9 | 2023 |
| Uni-dock: A gpu-accelerated docking program enables ultra-large virtual screening Y Yu, C Cai, Z Zhu, H Zheng | 6 | 2022 |
| UNI-GBSA: An automatic workflow to perform mm/gb (pb) sa calculations for virtual screening M Yang, D Wang, H Zheng | 5 | 2022 |
| 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 | 3 | 2023 |
| 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 | 2 | 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 | 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 |
| Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling H Zheng, W Luo, G Zhou, Z Zhu, Y Yuan, G Ke, Z Wei, Z Gao | | 2023 |
| 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 | | 2023 |
| Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling W Luo, G Zhou, Z Zhu, G Ke, Z Wei, Z Gao, H Zheng | | 2023 |
| 3D Molecular Generation by Virtual Dynamics S Lu, L Yao, X Chen, H Zheng, G Ke | | 2022 |
Guolin KeDP TechnologyVerified email at dp.tech
