| Phenylenediamine-Based FeNx/C Catalyst with High Activity for Oxygen Reduction in Acid Medium and Its Active-Site Probing Q Wang, ZY Zhou, YJ Lai, Y You, JG Liu, XL Wu, E Terefe, C Chen, ... Journal of the American chemical Society 136 (31), 10882-10885, 2014 | 647 | 2014 |
| S‐doping of an Fe/N/C ORR catalyst for polymer electrolyte membrane fuel cells with high power density YC Wang, YJ Lai, L Song, ZY Zhou, JG Liu, Q Wang, XD Yang, C Chen, ... Angewandte Chemie 127 (34), 10045-10048, 2015 | 532 | 2015 |
| Systematic parameterization of monovalent ions employing the nonbonded model P Li, LF Song, KM Merz Jr Journal of chemical theory and computation 11 (4), 1645-1657, 2015 | 389 | 2015 |
| Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water P Li, LF Song, KM Merz Jr The Journal of Physical Chemistry B 119 (3), 883-895, 2015 | 310 | 2015 |
| Using AMBER18 for relative free energy calculations LF Song, TS Lee, C Zhu, DM York, KM Merz Jr Journal of chemical information and modeling 59 (7), 3128-3135, 2019 | 176 | 2019 |
| 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 | 119 | 2021 |
| Evolution of alchemical free energy methods in drug discovery LF Song, KM Merz Jr Journal of Chemical Information and Modeling 60 (11), 5308-5318, 2020 | 88 | 2020 |
| 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 | 83 | 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 | 40 | 2021 |
| Thermodynamics of transition metal ion binding to proteins LF Song, A Sengupta, KM Merz Jr Journal of the American Chemical Society 142 (13), 6365-6374, 2020 | 35 | 2020 |
| The role of the active site flap in streptavidin/biotin complex formation N Bansal, Z Zheng, LF Song, J Pei, KM Merz Jr Journal of the American Chemical Society 140 (16), 5434-5446, 2018 | 22 | 2018 |
| Detailed potential of mean force studies on host–guest systems from the SAMPL6 challenge LF Song, N Bansal, Z Zheng, KM Merz Journal of computer-aided molecular design 32, 1013-1026, 2018 | 20 | 2018 |
| Random forest refinement of pairwise potentials for protein–ligand decoy detection J Pei, Z Zheng, H Kim, LF Song, S Walworth, MR Merz, KM Merz Jr Journal of Chemical Information and Modeling 59 (7), 3305-3315, 2019 | 16 | 2019 |
| Generation of pairwise potentials using multidimensional data mining Z Zheng, J Pei, N Bansal, H Liu, LF Song, KM Merz Jr Journal of Chemical Theory and Computation 14 (10), 5045-5067, 2018 | 13 | 2018 |
| Effect of an inhibitor on the ACE2-receptor-binding domain of SARS-COV-2 G Sharma, LF Song, KM Merz Journal of chemical information and modeling 62 (24), 6574-6585, 2022 | 10 | 2022 |
| 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 | 8 | 2022 |
| Validation of AMBER/GAFF for relative free energy calculations L Song, TS Lee, C Zhu, DM York, KM Merz Jr | 6 | 2019 |
| Mechanism of formation of the nonstandard product in the prenyltransferase reaction of the G115T mutant of FtmPT1: a case of reaction dynamics calling the shots? LL Pan, LF Song, Y Miao, Y Yang, KM Merz Jr Biochemistry 56 (24), 2995-3007, 2017 | 6 | 2017 |
| Pair Potentials as Machine Learning Features J Pei, LF Song, KM Merz Jr Journal of Chemical Theory and Computation 16 (8), 5385-5400, 2020 | 4 | 2020 |
| 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, 2024 | 3 | 2024 |
Kenneth M. Merz Jr.University Distinguished Professor and Joseph Zichis Chair in Chemistry, Michigan State University在 msu.edu 的电子邮件经过验证
