Expanding the nanoarchitectural diversity through aromatic di-and tri-peptide coassembly: Nanostructures and molecular mechanisms C Guo, ZA Arnon, R Qi, Q Zhang, L Adler-Abramovich, E Gazit, G Wei ACS nano 10 (9), 8316-8324, 2016 | 102 | 2016 |
Norepinephrine inhibits Alzheimer’s amyloid-β peptide aggregation and destabilizes amyloid-β protofibrils: A molecular dynamics simulation study Y Zou, Z Qian, Y Chen, H Qian, G Wei, Q Zhang ACS chemical neuroscience 10 (3), 1585-1594, 2019 | 100 | 2019 |
Conformational ensemble of hIAPP dimer: insight into the molecular mechanism by which a green tea extract inhibits hIAPP aggregation Y Mo, J Lei, Y Sun, Q Zhang, G Wei Scientific reports 6 (1), 33076, 2016 | 95 | 2016 |
Atomistic-level study of the interactions between hIAPP protofibrils and membranes: Influence of pH and lipid composition Z Qian, Y Zou, Q Zhang, P Chen, B Ma, G Wei, R Nussinov Biochimica et Biophysica Acta (BBA)-Biomembranes 1860 (9), 1818-1825, 2018 | 40 | 2018 |
Distinct binding dynamics, sites and interactions of fullerene and fullerenols with amyloid-β peptides revealed by molecular dynamics simulations Z Liu, Y Zou, Q Zhang, P Chen, Y Liu, Z Qian International Journal of Molecular Sciences 20 (8), 2048, 2019 | 39 | 2019 |
Critical nucleus structure and aggregation mechanism of the C-terminal fragment of copper–zinc superoxide dismutase protein Y Zou, Y Sun, Y Zhu, B Ma, R Nussinov, Q Zhang ACS chemical neuroscience 7 (3), 286-296, 2016 | 39 | 2016 |
Serotonin and Melatonin Show Different Modes of Action on Aβ42 Protofibril Destabilization Y Gong, C Zhan, Y Zou, Z Qian, G Wei, Q Zhang ACS Chemical Neuroscience 12 (4), 799-809, 2021 | 29 | 2021 |
Orcein-related small molecule O4 destabilizes hIAPP protofibrils by interacting mostly with the amyloidogenic core region Y Zou, Z Qian, Y Sun, G Wei, Q Zhang The Journal of Physical Chemistry B 121 (39), 9203-9212, 2017 | 29 | 2017 |
Critical nucleus of Greek-key-like core of α-synuclein protofibril and its disruption by dopamine and norepinephrine Y Zou, Z Qian, Y Gong, Y Tang, G Wei, Q Zhang Physical Chemistry Chemical Physics 22 (1), 203-211, 2020 | 26 | 2020 |
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 | 21 | 2021 |
Mechanisms of melatonin binding and destabilizing the protofilament and filament of tau R3–R4 domains revealed by molecular dynamics simulation L Zhu, Y Gong, H Lju, G Sun, Q Zhang, Z Qian Physical Chemistry Chemical Physics 23 (36), 20615-20626, 2021 | 20 | 2021 |
R102Q mutation shifts the salt-bridge network and reduces the structural flexibility of human neuronal calcium sensor-1 protein Y Zhu, Y Wu, Y Luo, Y Zou, B Ma, Q Zhang The Journal of Physical Chemistry B 118 (46), 13112-13122, 2014 | 17 | 2014 |
Assemblies of amyloid-β30–36 hexamer and its G33V/L34T mutants by replica-exchange molecular dynamics simulation Z Qian, Q Zhang, Y Liu, P Chen PLoS One 12 (11), e0188794, 2017 | 16 | 2017 |
Mechanistic insight into the disruption of Tau R3–R4 protofibrils by curcumin and epinephrine: An all-atom molecular dynamics study Y Zou, B Qi, J Tan, Y Sun, Y Gong, Q Zhang Physical Chemistry Chemical Physics 24 (34), 20454-20465, 2022 | 15 | 2022 |
Molecular dynamics simulations reveal the destabilization mechanism of Alzheimer's disease-related tau R3-R4 Protofilament by norepinephrine J Wan, Y Gong, Z Xu, X Dong, G Wei, Q Zhang Biophysical chemistry 271, 106541, 2021 | 15 | 2021 |
Effects of the C-terminal tail on the conformational dynamics of human neuronal calcium sensor-1 protein Y Zhu, S Yang, R Qi, Y Zou, B Ma, R Nussinov, Q Zhang The Journal of Physical Chemistry B 119 (44), 14236-14244, 2015 | 12 | 2015 |
The destructive mechanism of Aβ 1–42 protofibrils by norepinephrine revealed via molecular dynamics simulations D Gao, J Wan, Y Zou, Y Gong, X Dong, Z Xu, J Tang, G Wei, Q Zhang Physical Chemistry Chemical Physics 24 (33), 19827-19836, 2022 | 10 | 2022 |
Melatonin inhibits hIAPP oligomerization by preventing β-sheet and hydrogen bond formation of the amyloidogenic region revealed by replica-exchange molecular dynamics simulation G Wang, X Zhu, X Song, Q Zhang, Z Qian International Journal of Molecular Sciences 23 (18), 10264, 2022 | 9 | 2022 |
Proline hydroxylation at different sites in hypoxia-inducible factor 1α modulates its interactions with the von Hippel–Lindau tumor suppressor protein H Qian, Y Zou, Y Tang, Y Gong, Z Qian, G Wei, Q Zhang Physical Chemistry Chemical Physics 20 (27), 18756-18765, 2018 | 9 | 2018 |
Temperature-dependent conformational properties of human neuronal calcium sensor-1 protein revealed by all-atom simulations Y Zhu, B Ma, R Qi, R Nussinov, Q Zhang The Journal of Physical Chemistry B 120 (14), 3551-3559, 2016 | 8 | 2016 |