| Efficient and accurate large library ligand docking with KarmaDock X Zhang, O Zhang, C Shen, W Qu, S Chen, H Cao, Y Kang, Z Wang, ... Nature Computational Science 3 (9), 789-804, 2023 | 65 | 2023 |
| NUSAP1-LDHA-Glycolysis-Lactate feedforward loop promotes Warburg effect and metastasis in pancreatic ductal adenocarcinoma M Chen, K Cen, Y Song, X Zhang, YC Liou, P Liu, J Huang, J Ruan, J He, ... Cancer letters 567, 216285, 2023 | 64 | 2023 |
| Learning on topological surface and geometric structure for 3D molecular generation O Zhang, T Wang, G Weng, D Jiang, N Wang, X Wang, H Zhao, J Wu, ... Nature computational science 3 (10), 849-859, 2023 | 38 | 2023 |
| Development of a nattokinase–polysialic acid complex for advanced tumor treatment Y Kou, R Feng, J Chen, L Duan, S Wang, Y Hu, N Zhang, T Wang, Y Deng, ... European Journal of Pharmaceutical Sciences 145, 105241, 2020 | 24 | 2020 |
| TocoDecoy: a new approach to design unbiased datasets for training and benchmarking machine-learning scoring functions X Zhang, C Shen, B Liao, D Jiang, J Wang, Z Wu, H Du, T Wang, W Huo, ... Journal of Medicinal Chemistry 65 (11), 7918-7932, 2022 | 21 | 2022 |
| Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency T Wang, L Wang, X Zhang, C Shen, O Zhang, J Wang, J Wu, R Jin, ... Briefings in Bioinformatics 25 (1), bbad486, 2024 | 5 | 2024 |
| AttABseq: an attention-based deep learning prediction method for antigen–antibody binding affinity changes based on protein sequences R Jin, Q Ye, J Wang, Z Cao, D Jiang, T Wang, Y Kang, W Xu, CY Hsieh, ... Briefings in Bioinformatics 25 (4), bbae304, 2024 | 4 | 2024 |
| Topology-based and conformation-based decoys database: an unbiased online database for training and benchmarking machine-learning scoring functions X Zhang, C Shen, T Wang, Y Kang, D Li, P Pan, J Wang, G Wang, Y Deng, ... Journal of Medicinal Chemistry 66 (13), 9174-9183, 2023 | 2 | 2023 |
| A foundation model approach to guide antimicrobial peptide design in the era of artificial intelligence driven scientific discovery J Wang, J Feng, Y Kang, P Pan, J Ge, Y Wang, M Wang, Z Wu, X Zhang, ... arXiv preprint arXiv:2407.12296, 2024 | 1 | 2024 |
| Dissecting the role of ALK double mutations in drug resistance to lorlatinib with in-depth theoretical modeling and analysis X Zhang, J Tong, T Wang, T Wang, L Xu, Z Wang, T Hou, P Pan Computers in Biology and Medicine 169, 107815, 2024 | 1 | 2024 |
| ML-PLIC: a web platform for characterizing protein–ligand interactions and developing machine learning-based scoring functions X Zhang, C Shen, T Wang, Y Deng, Y Kang, D Li, T Hou, P Pan Briefings in Bioinformatics 24 (5), bbad295, 2023 | 1 | 2023 |
| Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein S Chen, O Zhang, C Jiang, H Zhao, X Zhang, M Chen, Y Liu, Q Su, Z Wu, ... Nature Machine Intelligence, 1-11, 2025 | | 2025 |
| Comprehensive Evaluation of End-Point Free Energy Methods in DNA–Ligand Interaction Predictions C Li, H Du, C Zhang, W Huang, X Zhang, T Wang, D Jiang, T Hou, ... Journal of Chemical Information and Modeling, 2025 | | 2025 |
| Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop T Wang, X Zhang, O Zhang, G Chen, P Pan, E Wang, J Wang, J Wu, ... Research 7, 0408, 2024 | | 2024 |
Tingjun HouQiushi Professor of Pharmaceutical Science, Zhejiang University在 zju.edu.cn 的电子邮件经过验证
