| Mechanistic insights into the effect of phosphorylation on Ras conformational dynamics and its interactions with cell signaling proteins Y Wang, D Ji, C Lei, Y Chen, Y Qiu, X Li, M Li, D Ni, J Pu, J Zhang, Q Fu, ... Computational and Structural Biotechnology Journal 19, 1184-1199, 2021 | 59 | 2021 |
| Along the allostery stream: Recent advances in computational methods for allosteric drug discovery D Ni, Z Chai, Y Wang, M Li, Z Yu, Y Liu, S Lu, J Zhang Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (4), e1585, 2022 | 49 | 2022 |
| Delineating the activation mechanism and conformational landscape of a class BG protein-coupled receptor glucagon receptor Y Wang, M Li, W Liang, X Shi, J Fan, R Kong, Y Liu, J Zhang, T Chen, ... Computational and Structural Biotechnology Journal 20, 628-639, 2022 | 45 | 2022 |
| IDDB: a comprehensive resource featuring genes, variants and characteristics associated with infertility J Wu, D Li, X Liu, Q Li, X He, J Wei, X Li, M Li, AU Rehman, Y Xia, C Wu, ... Nucleic Acids Research 49 (D1), D1218-D1224, 2021 | 36 | 2021 |
| 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 | 32 | 2024 |
| Markov state models and molecular dynamics simulations reveal the conformational transition of the intrinsically disordered hypervariable region of K-Ras4B to the ordered … H Zhang, D Ni, J Fan, M Li, J Zhang, C Hua, R Nussinov, S Lu Journal of Chemical Information and Modeling 62 (17), 4222-4231, 2022 | 25 | 2022 |
| Mechanistic insights into the long-range allosteric regulation of KRAS via neurofibromatosis type 1 (NF1) scaffold upon SPRED1 loading M Li, Y Wang, J Fan, H Zhuang, Y Liu, D Ji, S Lu Journal of Molecular Biology 434 (17), 167730, 2022 | 21 | 2022 |
| Role of Artificial Intelligence in Revolutionizing Drug Discovery AU Rehman, M Li, B Wu, Y Ali, S Rasheed, S Shaheen, X Liu, R Luo, ... Fundamental Research, 2024 | 20 | 2024 |
| Dual roles of ATP-binding site in protein kinases: Orthosteric inhibition and allosteric regulation M Li, AU Rehman, Y Liu, K Chen, S Lu Advances in Protein Chemistry and Structural Biology 124, 87-119, 2021 | 20 | 2021 |
| 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 | 18 | 2023 |
| GPSM1 impairs metabolic homeostasis by controlling a pro-inflammatory pathway in macrophages J Yan, Y Zhang, H Yu, Y Zong, D Wang, J Zheng, L Jin, X Yu, C Liu, ... Nature Communications 13 (1), 7260, 2022 | 18 | 2022 |
| ASD2023: towards the integrating landscapes of allosteric knowledgebase J He, X Liu, C Zhu, J Zha, Q Li, M Zhao, J Wei, M Li, C Wu, J Wang, Y Jiao, ... Nucleic Acids Research 52 (D1), D376-D383, 2024 | 17 | 2024 |
| Explaining and predicting allostery with allosteric database and modern analytical techniques J Zha, M Li, R Kong, S Lu, J Zhang Journal of Molecular Biology 434 (17), 167481, 2022 | 15 | 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, T Wang, TY Liu arXiv preprint arXiv:2210.16518 178, 2022 | 14 | 2022 |
| Genome-Wide Identification of the Q-type C2H2 Transcription Factor Family in Alfalfa (Medicago sativa) and Expression Analysis under Different Abiotic Stresses J Pu, M Li, P Mao, Q Zhou, W Liu, Z Liu Genes 12 (12), 1906, 2021 | 14 | 2021 |
| Elucidation of the conformational dynamics and assembly of Argonaute–RNA complexes by distinct yet coordinated actions of the supplementary microRNA H Zhuang, X Fan, D Ji, Y Wang, J Fan, M Li, D Ni, S Lu, X Li, Z Chai Computational and Structural Biotechnology Journal 20, 1352-1365, 2022 | 13 | 2022 |
| DeepAlloDriver: a deep learning-based strategy to predict cancer driver mutations Q Song, M Li, Q Li, X Lu, K Song, Z Zhang, J Wei, L Zhang, J Wei, Y Ye, ... Nucleic acids research 51 (W1), W129-W133, 2023 | 11 | 2023 |
| Autopromotion of K-Ras4B feedback activation through an SOS-mediated long-range allosteric effect X He, K Du, Y Wang, J Fan, M Li, D Ni, S Lu, X Bian, Y Liu Frontiers in Molecular Biosciences 9, 860962, 2022 | 10 | 2022 |
| Ab initio characterization of protein molecular dynamics with AI2BMD T Wang, X He, M Li, Y Li, R Bi, Y Wang, C Cheng, X Shen, J Meng, ... Nature, 1-9, 2024 | 8 | 2024 |
| Mechanistic insights into the clinical Y96D mutation with acquired resistance to AMG510 in the KRASG12C H Zhuang, J Fan, M Li, H Zhang, X Yang, L Lin, S Lu, Q Wang, Y Liu Frontiers in Oncology 12, 915512, 2022 | 8 | 2022 |
Jian ZhangShanghai Jiaotong University School of MedicineVerified email at sjtu.edu.cn