| Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors S Ren, J Zeng, Y Mei, JZH Zhang, SF Yan, J Fei, L Chen Drug Metabolism and Disposition 41 (1), 60-71, 2013 | 75 | 2013 |
| A numerically stable restrained electrostatic potential charge fitting method J Zeng, LL Duan, JZH Zhang, Y Mei Journal of computational chemistry 34 (10), 847-853, 2013 | 46 | 2013 |
| Electrostatic polarization is critical for the strong binding in streptavidin‐biotin system Y Mei, YL Li, J Zeng, JZH Zhang Journal of computational chemistry 33 (15), 1374-1382, 2012 | 22 | 2012 |
| The F130L mutation in streptavidin reduces its binding affinity to biotin through electronic polarization effect J Zeng, X Jia, JZH Zhang, Y Mei Journal of Computational Chemistry 34 (31), 2677-2686, 2013 | 20 | 2013 |
| Structural prediction of the dimeric form of the mammalian translocator membrane protein TSPO: a key target for brain diagnostics J Zeng, R Guareschi, M Damre, R Cao, A Kless, B Neumaier, A Bauer, ... International journal of molecular sciences 19 (9), 2588, 2018 | 19 | 2018 |
| Mechanism of phosphorylation-induced folding of 4E-BP2 revealed by molecular dynamics simulations J Zeng, F Jiang, YD Wu Journal of Chemical Theory and Computation 13 (1), 320-328, 2017 | 18 | 2017 |
| Conformational features of Ras: Key hydrogen-bonding interactions of Gln61 in the intermediate state during GTP hydrolysis J Zeng, J Weng, Y Zhang, F Xia, Q Cui, X Xu The Journal of Physical Chemistry B 125 (31), 8805-8813, 2021 | 17 | 2021 |
| Conformations and binding pockets of HRas and its guanine nucleotide exchange factors complexes in the guanosine triphosphate exchange process Y Xiong, J Zeng, F Xia, Q Cui, X Deng, X Xu Journal of Computational Chemistry 43 (13), 906-916, 2022 | 11 | 2022 |
| Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations J Zeng, J Chen, F Xia, Q Cui, X Deng, X Xu Physical Chemistry Chemical Physics 24 (13), 7653-7665, 2022 | 11 | 2022 |
| Folding simulations of an α-helical hairpin motif αtα with residue-specific force fields J Zeng, F Jiang, YD Wu The Journal of Physical Chemistry B 120 (1), 33-41, 2016 | 10 | 2016 |
| From levinthal’s paradox to the effects of cell environmental perturbation on protein folding J Zeng, Z Huang Current Medicinal Chemistry 26 (42), 7537-7554, 2019 | 9 | 2019 |
| Accessing the applicability of polarized protein‐specific charge in linear interaction energy analysis X Jia, J Zeng, JZH Zhang, Y Mei Journal of Computational Chemistry 35 (9), 737-747, 2014 | 9 | 2014 |
| The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a replica exchange molecular dynamics study X Lu, J Zeng, Y Gao, JZH Zhang, D Zhang, Y Mei Journal of molecular modeling 19, 4897-4908, 2013 | 8 | 2013 |
| Conjugation of weak ligands with weak antigens to activate TLR-7: A step toward better vaccine adjuvants D Gao, J Zeng, X Wang, Y Liu, W Li, Y Hu, N Gao, Y Diao, Z Wang, ... European Journal of Medicinal Chemistry 120, 111-120, 2016 | 6 | 2016 |
| Examination of the quality of various force fields and solvation models for the equilibrium simulations of GA88 and GB88 J Zeng, Y Li, JZH Zhang, Y Mei Journal of molecular modeling 22, 1-14, 2016 | 6 | 2016 |
| Unveiling the State Transition Mechanisms of Ras Proteins through Enhanced Sampling and QM/MM Simulations F Hu, Y Wang, J Zeng, X Deng, F Xia, X Xu The Journal of Physical Chemistry B 128 (6), 1418-1427, 2024 | 1 | 2024 |
| The human eIF4E: 4E-BP2 complex structure for studying hyperphosphorylation J Zeng, CM Lu, X Huang, Y Li Physical Chemistry Chemical Physics 26 (14), 10660-10672, 2024 | | 2024 |
| Conformations and Binding Pockets of HRas and its GEF· HRas Complexes in the GTP Exchange Process Y Xiong, J Zeng, F Xia, Q Cui, X Deng, X Xu Journal of computational chemistry 43 (13), 906, 2022 | | 2022 |
| The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a replica exchange molecular dynamics study JZH Zhang, X Lu, J Zeng, Y Gao, D Zhang, Y Mei | | 2013 |
John Z.H. ZhangECNU and NYU at Shanghai在 nyu.edu 的电子邮件经过验证
