| 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, 2019 | 253 | 2019 |
| AMOEBA+ Classical Potential for Modeling Molecular Interactions C Liu, JP Piquemal, P Ren Journal of Chemical Theory and Computation 15 (7), 4122, 2019 | 95 | 2019 |
| An optimized charge penetration model for use with the AMOEBA force field JA Rackers, Q Wang, C Liu, JP Piquemal, P Ren, JW Ponder Physical Chemistry Chemical Physics 19, 276, 2016 | 78 | 2016 |
| 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, USA 115 (32), E7495, 2018 | 69 | 2018 |
| From thermodynamics to kinetics: Enhanced sampling of rare events L Yang, C Liu, Q Shao, J Zhang, YQ Gao Accounts of Chemical Research 48 (4), 947, 2015 | 56 | 2015 |
| Microsolvation of LiI and CsI in water: Anion photoelectron spectroscopy and ab initio calculations RZ Li, C Liu, YQ Gao, H Jiang, HG Xu, WJ Zheng Journal of the American Chemical Society 135 (13), 5190, 2013 | 54 | 2013 |
| 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 | 51 | 2017 |
| Organic semiconducting alloys with tunable energy levels JH Dou, ZA Yu, J Zhang, YQ Zheng, ZF Yao, X Tu, Zeyi, Wang, S Huang, ... Journal of the American Chemical Society 141 (16), 6561, 2019 | 50 | 2019 |
| Implementation of geometry dependent charge flux into the polarizable AMOEBA+ potential C Liu, JP Piquemal, P Ren The Journal of Physical Chemistry Letters 11 (2), 419, 2020 | 43 | 2020 |
| Stable salt-water cluster structures reflect the delicate competition between ion-water and water-water interactions C Liu, F Wang, L Yang, XZ Li, WJ Zheng, YQ Gao The Journal of Physical Chemistry B 118 (3), 743, 2014 | 38 | 2014 |
| Inhibitory mechanism of Caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays Q Cao, XJ Wang, C Liu, DF Liu, LF Li, YQ Gao, XD Su Journal of Biological Chemistry 287 (19), 15371, 2012 | 32 | 2012 |
| High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling TJ Inizan, F Célerse, O Adjoua, D El Ahdab, LH Jolly, C Liu, P Ren, ... Chemical Science 12, 4889-4907, 2021 | 31 | 2021 |
| Emergence of solvent-separated Na–Cl ion pair in salt water: Photoelectron spectroscopy and theoretical calculations GL Hou, C Liu, RZ Li, HG Xu, YQ Gao, WJ Zheng The Journal of Physical Chemistry Letters 8 (1), 13, 2016 | 31 | 2016 |
| Capturing many-body interactions with classical dipole induction models C Liu, R Qi, Q Wang, JP Piquemal, P Ren Journal of Chemical Theory and Computation 13 (6), 2751, 2017 | 27 | 2017 |
| On the molecular mechanism of ion specific Hofmeister series WJ Xie, C Liu, LJ Yang, YQ Gao Science China Chemistry 57 (1), 36, 2014 | 24 | 2014 |
| Elucidating the Phosphate Binding Mode of PBP: 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, 2018 | 22 | 2018 |
| Thermodynamics of ion binding and occupancy in potassium channels Z Jing, JA Rackers, LR Pratt, C Liu, S Rempe, P Ren Chemical Science 12, 8920-8930, 2021 | 21 | 2021 |
| A physically grounded damped dispersion model with particle mesh Ewald summation JA Rackers, C Liu, P Ren, JW Ponder The Journal of chemical physics 149 (8), 084115, 2018 | 21 | 2018 |
| Photoelectron spectroscopy and ab initio calculations of Li(H2O)n and Cs(H2O)n clusters Z Zeng, C Liu, GL Hou, G Feng, HG Xu, YQ Gao, WJ Zheng The Journal of Physical Chemistry A 119 (12), 2845, 2015 | 18 | 2015 |
| Adsorption of water molecules on sodium chloride trimer C Liu, GL Hou, WJ Zheng, YQ Gao Theoretical Chemistry Accounts 133 (10), 1-10, 2014 | 17 | 2014 |
