| Polarizable force fields for biomolecular simulations: Recent advances and applications Z Jing, C Liu, SY Cheng, R Qi, BD Walker, JP Piquemal, P Ren Annual Review of Biophysics 48, 371-394, 2019 | 287 | 2019 |
| [pi]-[pi] interaction of aromatic groups in amphiphilic molecules directing for single-crystalline mesostructured zeolite nanosheets D Xu, Y Ma, Z Jing, L Han, B Singh, J Feng, X Shen, F Cao, P Oleynikov, ... Nature communications 5, 4262, 2014 | 230 | 2014 |
| AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids C Zhang, C Lu, Z Jing, C Wu, JP Piquemal, JW Ponder, P Ren Journal of Chemical Theory and Computation 14 (4), 2084-2108, 2018 | 202 | 2018 |
| Tinker-HP: a Massively Parallel Molecular Dynamics Package for Multiscale Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields L Lagardère, LH Jolly, F Lipparini, F Aviat, B Stamm, Z Jing, M Harger, ... Chemical Science 9 (4), 956-972, 2017 | 190 | 2017 |
| Robust Antibacterial Activity of Tungsten Oxide (WO3-X) Nanodots G Duan, L Chen, Z Jing, P De Luna, L Wen, L Zhang, L Zhao, J Xu, Z Li, ... Chemical Research in Toxicology 32 (7), 1357-1366, 2019 | 76 | 2019 |
| Many-body effect determines the selectivity for Ca2+ and Mg2+ in proteins Z Jing, C Liu, R Qi, P Ren Proceedings of the National Academy of Sciences 115 (32), E7495-E7501, 2018 | 76 | 2018 |
| Biocompatible and blood–brain barrier permeable carbon dots for inhibition of Aβ fibrillation and toxicity, and BACE1 activity X Han, Z Jing, W Wu, B Zou, Z Peng, P Ren, A Wikramanayake, Z Lu, ... Nanoscale 9 (35), 12862-12866, 2017 | 65 | 2017 |
| Surfactants with Aromatic-Group Tail and Single Quaternary Ammonium Head for Directing Single-Crystalline Mesostructured Zeolite Nanosheets D Xu, Z Jing, F Cao, H Sun, S Che Chemistry of Materials 26 (15), 4612-4619, 2014 | 61 | 2014 |
| Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field Z Jing, R Qi, C Liu, P Ren The Journal of Chemical Physics 147 (16), 161733, 2017 | 57 | 2017 |
| Calculating binding free energies of host–guest systems using the AMOEBA polarizable force field DR Bell, R Qi, Z Jing, JY Xiang, C Mejias, MJ Schnieders, JW Ponder, ... Physical Chemistry Chemical Physics 18 (44), 30261-30269, 2016 | 51 | 2016 |
| Thermodynamics of ion binding and occupancy in potassium channels Z Jing, JA Rackers, LR Pratt, C Liu, SB Rempe, P Ren Chemical science 12 (25), 8920-8930, 2021 | 27 | 2021 |
| Hierarchical atom type definitions and extensible all‐atom force fields Z Jin, C Yang, F Cao, F Li, Z Jing, L Chen, Z Shen, L Xin, S Tong, H Sun Journal of Computational Chemistry 37 (7), 653-664, 2016 | 27 | 2016 |
| Elucidating the phosphate binding mode of phosphate-binding protein: The critical effect of buffer solution R Qi, Z Jing, C Liu, JP Piquemal, KN Dalby, P Ren The Journal of Physical Chemistry B 122 (24), 6371-6376, 2018 | 26 | 2018 |
| Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation L El Khoury, Z Jing, A Cuzzolin, A Deplano, D Loco, B Sattarov, F Hédin, ... Chemical Science 13 (13), 3674-3687, 2022 | 19 | 2022 |
| A Comment on the Reweighting Method for Accelerated Molecular Dynamics Z Jing, H Sun Journal of Chemical Theory and Computation 11 (6), 2395-2397, 2015 | 19 | 2015 |
| Replica Exchange Reactive Molecular Dynamics Simulations of Initial Reactions in Zeolite Synthesis Z Jing, L Xin, H Sun Physical Chemistry Chemical Physics, 2015 | 17 | 2015 |
| Molecular Dynamics Study of the Hybridization between RNA and Modified Oligonucleotides Z Jing, R Qi, M Thibonnier, P Ren Journal of Chemical Theory and Computation 15 (11), 6422-6432, 2019 | 13 | 2019 |
| Investigating the Association Mechanism between Rafoxanide and Povidone F Meng, Z Jing, R Ferreira, P Ren, F Zhang Langmuir 34 (46), 13971-13978, 2018 | 11 | 2018 |
| Computational and Experimental Studies of Inhibitor Design for Aldolase A. R Qi, B Walker, Z Jing, M Yu, G Stancu, R Edupuganti, KN Dalby, P Ren The Journal of Physical Chemistry B 123 (28), 6034-6041, 2019 | 10 | 2019 |
| Molecular dynamics free energy simulations of ATP:Mg2+ and ADP:Mg2+ using the polarisable force field AMOEBA B Walker, Z Jing, P Ren Molecular Simulation 47 (5), 439-448, 2021 | 8 | 2021 |
Pengyu RenDepartment of Biomedical Engineering, The University of Texas at AustinVerified email at mail.utexas.edu
