| The distinct structural preferences of tau protein repeat domains X Li, X Dong, G Wei, M Margittai, R Nussinov, B Ma Chemical communications 54 (45), 5700-5703, 2018 | 30 | 2018 |
| A Comprehensive Insight into the Mechanisms of Dopamine in Disrupting Aβ Protofibrils and Inhibiting Aβ Aggregation Y Chen, X Li, C Zhan, Z Lao, F Li, X Dong, G Wei ACS Neuroscience 12 (21), 4007–4019, 2021 | 22 | 2021 |
| Common cancer mutations R175H and R273H drive the p53 DNA-binding domain towards aggregation-prone conformations L Li, X Li, Y Tang, Z Lao, J Lei, G Wei Physical Chemistry Chemical Physics 22 (17), 9225-9232, 2020 | 19 | 2020 |
| Mechanistic Insights into the Co-Aggregation of Aβ and hIAPP: An All-Atom Molecular Dynamic Study X Li, Z Lao, Y Zou, X Dong, L Li, G Wei The Journal of Physical Chemistry B 125 (8), 2050−2060, 2021 | 18 | 2021 |
| Heparin remodels the microtubule-binding repeat R3 of Tau protein towards fibril-prone conformations X Dong, R Qi, Q Qiao, X Li, F Li, J Wan, Q Zhang, G Wei Physical Chemistry Chemical Physics 23 (36), 20406-20418, 2021 | 16 | 2021 |
| Mechanistic insight into E22Q-mutation-induced antiparallel-to-parallel β-sheet transition of Aβ 16− 22 fibrils: an all-atom simulation study X Li, J Lei, R Qi, L Xie, G Wei Physical Chemistry Chemical Physics 21 (28), 15686-15694, 2019 | 14 | 2019 |
| EGCG attenuates α-synuclein protofibril-membrane interactions and disrupts the protofibril Z Yang, Y Yao, Y Zhou, X Li, Y Tang, G Wei International Journal of Biological Macromolecules 230, 123194, 2023 | 9 | 2023 |
| Recognition between CD147 and cyclophilin A deciphered by accelerated molecular dynamics simulations Z Yang, Y Zang, H Wang, Y Kang, J Zhang, X Li, L Zhang, S Zhang Physical Chemistry Chemical Physics 24 (31), 18905-18914, 2022 | 9 | 2022 |
| ALS-associated A315E and A315pT variants exhibit distinct mechanisms in inducing irreversible aggregation of TDP-43 312–317 peptides X Liu, Z Lao, X Li, X Dong, G Wei Physical Chemistry Chemical Physics 24 (26), 16263-16273, 2022 | 5 | 2022 |
| Molecular insights into the binding variance of SARS-CoV-2 spike with human, cat and dog ACE2 proteins Y Zang, X Li, Y Zhao, H Wang, D Hao, L Zhang, Z Yang, X Yuan, S Zhang Physical Chemistry Chemical Physics 23 (24), 13752-13759, 2021 | 5 | 2021 |
| Dissecting the Molecular Mechanisms of the Co-Aggregation of Aβ40 and Aβ42 Peptides: A REMD Simulation Study Xuhua Li, Zhiwei Yang, Yujie Chen, Shengli Zhang, Guanghong Wei, Lei Zhang The Journal of Physical Chemistry B 127, 4050-4060, 2023 | 3 | 2023 |
| p38α Kinase Auto-Activation through Its Conformational Transition Induced by Tyr323 Phosphorylation Y Zang, H Wang, D Hao, Y Kang, J Zhang, X Li, L Zhang, Z Yang, ... Journal of Chemical Information and Modeling 62 (24), 6639-6648, 2022 | 3 | 2022 |
| Deciphering the mechanisms of HPV E6 mutations in the destabilization of E6/E6AP/p53 complex L Li, X Dong, Y Tang, Z Lao, X Li, J Lei, G Wei Biophysical Journal, 2022 | 3 | 2022 |
| ALS-Linked A315T and A315E Mutations Enhance β-Barrel Formation of the TDP-43307–319 Hexamer: A REST2 Simulation Study X Liu, X Li, Q Qiao, F Li, G Wei ACS Chemical Neuroscience 14 (7), 1310-1320, 2023 | 1 | 2023 |
| Molecular Insights into the Inhibition Mechanism of Harringtonine against Essential Proteins associated with SARS-CoV-2 Entry Zhiwei Yang, Xinyue Fu, Yizhen Zhao, Xuhua Li, Jiangang Long, Lei Zhang International Journal of Biological Macromolecules 240, 124352, 2023 | 1 | 2023 |
| Molecular and thermodynamic insights into interfacial interactions between collagen and cellulose investigated by molecular dynamics simulation and umbrella sampling H Ma, Q Shi, X Li, J Ren, Y Wang, Z Li, L Ning Journal of Computer-Aided Molecular Design 37 (1), 39-51, 2023 | 1 | 2023 |
| TAB1 binding induced p38α conformation change: an accelerated molecular dynamics simulation study SZ Yongjian Zang, He Wang , Ying Kang , Jianwen Zhang , Xuhua Li , Lei Zhang ... Physical Chemistry Chemical Physics 24, 10506-10513, 2022 | 1 | 2022 |
| Structural insights into the co-aggregation of Aβ and tau amyloid core peptides: Revealing potential pathological heterooligomers by simulations Xuhua Li, Yujie Chen, Zhiwei Yang, Shengli Zhang, Guanghong Wei, Lei Zhang International Journal of Biological Macromolecules 254, 2024 | | 2024 |
| Organelle Interaction and Drug Discovery: Towards Correlative Nanoscopy and Molecular Dynamics Simulation Zhiwei Yang, Zichen Zhang, Yizhen Zhao, Qiushi Ye, Xuhua Li, Lingjie Meng ... the journal Frontiers in Pharmacology, 2374, 2022 | | 2022 |
| Accounting conformational dynamics into structural modeling reflected by Cryo-EM with deep learning Q Ye, Y Zhao, X Li, Y Zhao, X Fu, S Zhang, Y Zhiwei, Z Lei Combinatorial Chemistry & High Throughput Screening, 2022 | | 2022 |
