| A surface-display biohybrid approach to light-driven hydrogen production in air W Wei, P Sun, Z Li, K Song, W Su, B Wang, Y Liu, J Zhao Science advances 4 (2), eaap9253, 2018 | 185 | 2018 |
| Parameterization of monovalent ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB water models A Sengupta, Z Li, LF Song, P Li, KM Merz Jr Journal of chemical information and modeling 61 (2), 869-880, 2021 | 155 | 2021 |
| Systematic parametrization of divalent metal ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB water models Z Li, LF Song, P Li, KM Merz Jr Journal of chemical theory and computation 16 (7), 4429-4442, 2020 | 115 | 2020 |
| Parametrization of trivalent and tetravalent metal ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB water models Z Li, LF Song, P Li, KM Merz Jr Journal of chemical theory and computation 17 (4), 2342-2354, 2021 | 45 | 2021 |
| Consequences of Overfitting the van der Waals Radii of Ions M Smith, Z Li, L Landry, KM Merz Jr, P Li Journal of Chemical Theory and Computation 19 (7), 2064-2074, 2023 | 18 | 2023 |
| Accurate Metal–Imidazole Interactions Z Li, LF Song, G Sharma, B Koca Fındık, KM Merz Jr Journal of Chemical Theory and Computation 19 (2), 619-625, 2022 | 14 | 2022 |
| A polarizable cationic dummy metal ion model A Rahnamoun, KA O’Hearn, MC Kaymak, Z Li, KM Merz Jr, HM Aktulga The Journal of Physical Chemistry Letters 13 (23), 5334-5340, 2022 | 10 | 2022 |
| Systematic evaluation of ion diffusion and water exchange Z Li, KM Merz Jr Journal of chemical theory and computation 18 (5), 3017-3026, 2022 | 10 | 2022 |
| Simulating metal-imidazole complexes Z Li, S Bhowmik, L Sagresti, G Brancato, M Smith, DE Benson, P Li, ... Journal of Chemical Theory and Computation 20 (15), 6706-6716, 2024 | 7 | 2024 |
| Binding of Phosphate Species to Ca2+ and Mg2+ in Aqueous Solution B Koca Fındık, M Jafari, LF Song, Z Li, V Aviyente, KM Merz Jr Journal of Chemical Theory and Computation 20 (10), 4298-4307, 2024 | 7 | 2024 |
| Rational engineering of an elevator-type metal transporter ZIP8 reveals a conditional selectivity filter critically involved in determining substrate specificity Y Jiang, Z Li, D Sui, G Sharma, T Wang, K MacRenaris, H Takahashi, ... Communications Biology 6 (1), 778, 2023 | 7 | 2023 |
| Thermodynamics of metal–acetate interactions M Jafari, Z Li, LF Song, L Sagresti, G Brancato, KM Merz Jr The Journal of Physical Chemistry B 128 (3), 684-697, 2024 | 6 | 2024 |
| Proteolysis mediated by the membrane‐integrated ATP‐dependent protease FtsH has a unique nonlinear dependence on ATP hydrolysis rates Y Yang, M Gunasekara, S Muhammednazaar, Z Li, H Hong Protein Science 28 (7), 1262-1275, 2019 | 6 | 2019 |
| Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory A Shajan, D Kaliakin, A Mitra, JR Moreno, Z Li, M Motta, C Johnson, ... arXiv preprint arXiv:2411.09861, 2024 | 3 | 2024 |
| Accurate quantum-centric simulations of supramolecular interactions D Kaliakin, A Shajan, JR Moreno, Z Li, A Mitra, M Motta, C Johnson, ... arXiv preprint arXiv:2410.09209, 2024 | 3 | 2024 |
| Biocatalytic and Regioselective Exchange of 2‐O‐Benzoyl for 2‐O‐(m‐Substituted)Benzoyl Groups to Make Precursors of Next‐Generation Paclitaxel Drugs A Al‐Hilfi, Z Li, KM Merz Jr, IN Nawarathne, KD Walker ChemCatChem 16 (9), e202400186, 2024 | 2 | 2024 |
| Implementation of Mealy machine with molecular reactions Z Zhong, Z Li, L Ge, X You, C Zhang 2018 IEEE International Conference on Communications (ICC), 1-6, 2018 | 2 | 2018 |
| Mg2+-Ion Dependence Revealed for a BAHD 13-O-β-Aminoacyltransferase from Taxus Plants A Al-Hilfi, Z Li, KM Merz Jr, KD Walker JACS Au 4 (11), 4249-4262, 2024 | | 2024 |
| Ion Parametrization in Water-Ligand Systems Z Li Michigan State University, 2023 | | 2023 |
| Supporting Information A Polarizable Cationic Dummy Metal Ion Model A Rahnamoun, KA O'Hearn, MC Kaymak, Z Li, KM Merz Jr, HM Aktulga | | |