| Developing polarized protein-specific charges for protein dynamics: MD free energy calculation of pKa shifts for Asp26/Asp20 in thioredoxin C Ji, Y Mei, JZH Zhang Biophysical journal 95 (3), 1080-1088, 2008 | 186 | 2008 |
| MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network X Pan, H Wang, C Li, JZH Zhang, C Ji Journal of Chemical Information and Modeling 61 (7), 3159-3165, 2021 | 153 | 2021 |
| Electrostatic polarization makes a substantial contribution to the free energy of avidin− biotin binding Y Tong, Y Mei, YL Li, CG Ji, JZH Zhang Journal of the American Chemical Society 132 (14), 5137-5142, 2010 | 121 | 2010 |
| A new quantum method for electrostatic solvation energy of protein Y Mei, C Ji, JZH Zhang The Journal of chemical physics 125 (9), 2006 | 102 | 2006 |
| Interaction entropy for computational alanine scanning Y Yan, M Yang, CG Ji, JZH Zhang Journal of Chemical Information and Modeling 57 (5), 1112-1122, 2017 | 93 | 2017 |
| Protein polarization is critical to stabilizing AF-2 and helix-2′ domains in ligand binding to PPAR-γ CG Ji, JZH Zhang Journal of the American Chemical Society 130 (50), 17129-17133, 2008 | 88 | 2008 |
| eMolTox: prediction of molecular toxicity with confidence C Ji, F Svensson, A Zoufir, A Bender Bioinformatics 34 (14), 2508-2509, 2018 | 77 | 2018 |
| Activatable Near‐Infrared Probe for Fluorescence Imaging of γ‐Glutamyl Transpeptidase in Tumor Cells and In Vivo Z Luo, L Feng, R An, G Duan, R Yan, H Shi, J He, Z Zhou, C Ji, HY Chen, ... Chemistry–A European Journal 23 (59), 14778-14785, 2017 | 77 | 2017 |
| Protein–ligand empirical interaction components for virtual screening Y Yan, W Wang, Z Sun, JZH Zhang, C Ji Journal of chemical information and modeling 57 (8), 1793-1806, 2017 | 73 | 2017 |
| Some practical approaches to treating electrostatic polarization of proteins C Ji, Y Mei Accounts of Chemical Research 47 (9), 2795-2803, 2014 | 67 | 2014 |
| Simulation of NMR data reveals that proteins’ local structures are stabilized by electronic polarization Y Tong, CG Ji, Y Mei, JZH Zhang Journal of the American Chemical Society 131 (24), 8636-8641, 2009 | 59 | 2009 |
| A new quantum calibrated force field for zinc–protein complex T Zhu, X Xiao, C Ji, JZH Zhang Journal of chemical theory and computation 9 (3), 1788-1798, 2013 | 51 | 2013 |
| Ruthenium (II)/Chiral Brønsted Acid Co‐Catalyzed Enantioselective Four‐Component Reaction/Cascade Aza‐Michael Addition for Efficient Construction of 1, 3, 4‐Tetrasubstituted … J Jiang, X Ma, C Ji, Z Guo, T Shi, S Liu, W Hu Chemistry–A European Journal 20 (6), 1505-1509, 2014 | 41 | 2014 |
| The critical effect of polarization on the dynamical structure of guanine quadruplex DNA J Song, C Ji, JZH Zhang Physical Chemistry Chemical Physics 15 (11), 3846-3854, 2013 | 41 | 2013 |
| Electronic polarization is important in stabilizing the native structures of proteins CG Ji, JZH Zhang The Journal of Physical Chemistry B 113 (49), 16059-16064, 2009 | 40 | 2009 |
| HobPre: Accurate prediction of human oral bioavailability for small molecules M Wei, X Zhang, X Pan, B Wang, C Ji, Y Qi, JZH Zhang Journal of Cheminformatics 14 (1), 1, 2022 | 39 | 2022 |
| Insights on Na+ binding and conformational dynamics in multidrug and toxic compound extrusion transporter NorM J Song, C Ji, JZH Zhang Proteins: Structure, Function, and Bioinformatics 82 (2), 240-249, 2014 | 34 | 2014 |
| MolOpt: a web server for drug design using bioisosteric transformation J Shan, C Ji Current computer-aided drug design 16 (4), 460-466, 2020 | 29 | 2020 |
| Quantifying the stabilizing energy of the intraprotein hydrogen bond due to local mutation CG Ji, JZH Zhang The Journal of Physical Chemistry B 115 (42), 12230-12233, 2011 | 27 | 2011 |
| AA-score: a new scoring function based on amino acid-specific interaction for molecular docking X Pan, H Wang, Y Zhang, X Wang, C Li, C Ji, JZH Zhang Journal of Chemical Information and Modeling 62 (10), 2499-2509, 2022 | 26 | 2022 |
