| Protein structure prediction beyond AlphaFold GW Wei Nature Machine Intelligence 1 (8), 336-337, 2019 | 89 | 2019 |
| DSN-DDI: an accurate and generalized framework for drug–drug interaction prediction by dual-view representation learning Z Li, S Zhu, B Shao, X Zeng, T Wang, TY Liu Briefings in Bioinformatics 24 (1), bbac597, 2023 | 51 | 2023 |
| Structural insights into the SARS-CoV-2 Omicron RBD-ACE2 interaction J Lan, X He, Y Ren, Z Wang, H Zhou, S Fan, C Zhu, D Liu, B Shao, TY Liu, ... Cell research 32 (6), 593-595, 2022 | 51 | 2022 |
| Direct molecular conformation generation J Zhu, Y Xia, C Liu, L Wu, S Xie, Y Wang, T Wang, T Qin, W Zhou, H Li, ... arXiv preprint arXiv:2202.01356, 2022 | 44 | 2022 |
| Improved fragment sampling for ab initio protein structure prediction using deep neural networks T Wang, Y Qiao, W Ding, W Mao, Y Zhou, H Gong Nature Machine Intelligence 1 (8), 347-355, 2019 | 35 | 2019 |
| Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2 S Zhang, Q Liang, X He, C Zhao, W Ren, Z Yang, Z Wang, Q Ding, ... Cell research 32 (3), 315-318, 2022 | 32 | 2022 |
| Exploring the Regulatory Function of the N‐terminal Domain of SARS‐CoV‐2 Spike Protein through Molecular Dynamics Simulation Y Li, T Wang, J Zhang, B Shao, H Gong, Y Wang, X He, S Liu, TY Liu Advanced theory and simulations 4 (10), 2100152, 2021 | 24 | 2021 |
| A single whey acidic protein domain containing protein (SWD) inhibits bacteria invasion and dissemination in shrimp Marsupenaeus japonicus HS Jiang, C Sun, T Wang, XF Zhao, JX Wang Fish & shellfish immunology 35 (2), 310-318, 2013 | 24 | 2013 |
| Structural and computational insights into the SARS-CoV-2 Omicron RBD-ACE2 interaction J Lan, X He, Y Ren, Z Wang, H Zhou, S Fan, C Zhu, D Liu, B Shao, TY Liu, ... BioRxiv, 2022.01. 03.474855, 2022 | 19 | 2022 |
| Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing Y Wang, T Wang, S Li, X He, M Li, Z Wang, N Zheng, B Shao, TY Liu Nature Communications 15 (1), 313, 2024 | 17 | 2024 |
| Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics Z Wang, H Wu, L Sun, X He, Z Liu, B Shao, T Wang, TY Liu The Journal of chemical physics 159 (3), 2023 | 15 | 2023 |
| Long-short-range message-passing: A physics-informed framework to capture non-local interaction for scalable molecular dynamics simulation Y Li, Y Wang, L Huang, H Yang, X Wei, J Zhang, T Wang, Z Wang, B Shao, ... arXiv preprint arXiv:2304.13542, 2023 | 15 | 2023 |
| Improved drug–target interaction prediction with intermolecular graph transformer S Liu, Y Wang, Y Deng, L He, B Shao, J Yin, N Zheng, TY Liu, T Wang Briefings in Bioinformatics 23 (5), bbac162, 2022 | 14 | 2022 |
| ViSNet: a scalable and accurate geometric deep learning potential for molecular dynamics simulation Y Wang, S Li, X He, M Li, Z Wang, N Zheng, B Shao, TY Liu, T Wang arXiv preprint arXiv:2210.16518 178, 2022 | 14 | 2022 |
| LRFragLib: an effective algorithm to identify fragments for de novo protein structure prediction T Wang, Y Yang, Y Zhou, H Gong Bioinformatics 33 (5), 677-684, 2017 | 14 | 2017 |
| AIMD-Chig: Exploring the conformational space of a 166-atom protein Chignolin with ab initio molecular dynamics T Wang, X He, M Li, B Shao, TY Liu Scientific Data 10 (1), 549, 2023 | 13 | 2023 |
| Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning H Zhang, S Liu, J You, C Liu, S Zheng, Z Lu, T Wang, N Zheng, B Shao Nature Computational Science 4 (3), 210-223, 2024 | 7 | 2024 |
| Identification of residue pairing in interacting β-strands from a predicted residue contact map W Mao, T Wang, W Zhang, H Gong BMC bioinformatics 19, 1-19, 2018 | 7 | 2018 |
| An ensemble of VisNet, Transformer-M, and pretraining models for molecular property prediction in OGB Large-Scale Challenge@ NeurIPS 2022 Y Wang, S Li, Z Wang, X He, B Shao, TY Liu, T Wang arXiv preprint arXiv:2211.12791, 2022 | 4 | 2022 |
| Geometric transformer with interatomic positional encoding Y Wang, S Li, T Wang, B Shao, N Zheng, TY Liu Advances in Neural Information Processing Systems 36, 2024 | 3 | 2024 |
