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 | 37 | 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 | 35 | 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 | 22 | 2020 |
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 | 20 | 2023 |
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 | 18 | 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 | 3 | 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 |
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 |
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 |