| HawkDock: a web server to predict and analyze the protein–protein complex based on computational docking and MM/GBSA G Weng, E Wang, Z Wang, H Liu, F Zhu, D Li, T Hou Nucleic acids research 47 (W1), W322-W330, 2019 | 388 | 2019 |
| PROTAC-DB: an online database of PROTACs G Weng, C Shen, D Cao, J Gao, X Dong, Q He, B Yang, D Li, J Wu, T Hou Nucleic acids research 49 (D1), D1381-D1387, 2021 | 121 | 2021 |
| Comprehensive evaluation of fourteen docking programs on protein–peptide complexes G Weng, J Gao, Z Wang, E Wang, X Hu, X Yao, D Cao, T Hou Journal of chemical theory and computation 16 (6), 3959-3969, 2020 | 107 | 2020 |
| Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein–peptide complexes G Weng, E Wang, F Chen, H Sun, Z Wang, T Hou Physical Chemistry Chemical Physics 21 (19), 10135-10145, 2019 | 101 | 2019 |
| Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein–protein interactions E Wang, G Weng, H Sun, H Du, F Zhu, F Chen, Z Wang, T Hou Physical Chemistry Chemical Physics 21 (35), 18958-18969, 2019 | 93 | 2019 |
| Deep learning approaches for de novo drug design: An overview M Wang, Z Wang, H Sun, J Wang, C Shen, G Weng, X Chai, H Li, D Cao, ... Current opinion in structural biology 72, 135-144, 2022 | 85 | 2022 |
| PROTAC-DB 2.0: an updated database of PROTACs G Weng, X Cai, D Cao, H Du, C Shen, Y Deng, Q He, B Yang, D Li, T Hou Nucleic acids research 51 (D1), D1367-D1372, 2023 | 56 | 2023 |
| CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors H Du, J Gao, G Weng, J Ding, X Chai, J Pang, Y Kang, D Li, D Cao, T Hou Nucleic acids research 49 (D1), D1122-D1129, 2021 | 52 | 2021 |
| Relation: A deep generative model for structure-based de novo drug design M Wang, CY Hsieh, J Wang, D Wang, G Weng, C Shen, X Yao, Z Bing, ... Journal of Medicinal Chemistry 65 (13), 9478-9492, 2022 | 47 | 2022 |
| Integrative modeling of PROTAC-mediated ternary complexes G Weng, D Li, Y Kang, T Hou Journal of Medicinal Chemistry 64 (21), 16271-16281, 2021 | 46 | 2021 |
| Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening? C Shen, G Weng, X Zhang, ELH Leung, X Yao, J Pang, X Chai, D Li, ... Briefings in Bioinformatics 22 (5), bbaa410, 2021 | 31 | 2021 |
| VAD-MM/GBSA: a variable atomic dielectric MM/GBSA model for improved accuracy in protein–ligand binding free energy calculations E Wang, W Fu, D Jiang, H Sun, J Wang, X Zhang, G Weng, H Liu, P Tao, ... Journal of Chemical Information and Modeling 61 (6), 2844-2856, 2021 | 31 | 2021 |
| Development and evaluation of MM/GBSA based on a variable dielectric GB model for predicting protein–ligand binding affinities E Wang, H Liu, J Wang, G Weng, H Sun, Z Wang, Y Kang, T Hou Journal of Chemical Information and Modeling 60 (11), 5353-5365, 2020 | 31 | 2020 |
| Identification of an activating mutation in the extracellular domain of HER2 conferring resistance to pertuzumab Y Zhang, S Wu, X Zhuang, G Weng, J Fan, X Yang, Y Xu, L Pan, T Hou, ... OncoTargets and therapy, 11597-11608, 2019 | 13 | 2019 |
| ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions X Zhang, C Shen, X Guo, Z Wang, G Weng, Q Ye, G Wang, Q He, B Yang, ... Journal of Cheminformatics 13, 1-9, 2021 | 10 | 2021 |
| 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 | 6 | 2023 |
| ReMODE: a deep learning-based web server for target-specific drug design M Wang, J Wang, G Weng, Y Kang, P Pan, D Li, Y Deng, H Li, CY Hsieh, ... Journal of Cheminformatics 14 (1), 84, 2022 | 5 | 2022 |
| Rediscmol: Benchmarking molecular generation models in biological properties G Weng, H Zhao, D Nie, H Zhang, L Liu, T Hou, Y Kang Journal of Medicinal Chemistry 67 (2), 1533-1543, 2024 | 3 | 2024 |
| Structural view on the role of the TRD loop in regulating DNMT3A activity: a molecular dynamics study H Zhao, J Yu, G Weng, J Yu, E Wang, J Gao, H Liu, T Hou, Z Wang, ... Physical Chemistry Chemical Physics 24 (26), 15791-15801, 2022 | 2 | 2022 |
| Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space M Wang, Z Wu, J Wang, G Weng, Y Kang, P Pan, D Li, Y Deng, X Yao, ... Journal of Chemical Information and Modeling, 2024 | 1 | 2024 |
Tingjun HouProfessor of Pharmaceutical Science, Zhejiang UniversityVerifierad e-postadress på zju.edu.cn
