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Gengmo Zhou
Gengmo Zhou
Bestätigte E-Mail-Adresse bei ruc.edu.cn
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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
2352023
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
132023
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
8
Predicting protein-ligand binding affinity via joint global-local interaction modeling
Y Zhang, G Zhou, Z Wei, H Xu
2022 IEEE International Conference on Data Mining (ICDM), 1323-1328, 2022
62022
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 4 (9), 3451-3465, 2024
32024
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
G Zhou, Z Wang, F Yu, G Ke, Z Wei, Z Gao
arXiv preprint arXiv:2409.07462, 2024
12024
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
12024
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
12024
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
12023
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
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
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