| AMBER 2021 A Onufriev, F Pan, S Pantano, R Qi, A Rahnamoun, DR Roe, A Roitberg, ... University of California: San Francisco, 2021 | 5146* | 2021 |
| Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent P Li, BP Roberts, DK Chakravorty, KM Merz Jr Journal of Chemical Theory and Computation 9 (6), 2733-2748, 2013 | 650 | 2013 |
| MCPB.py: A python based metal center parameter builder P Li, KM Merz Jr Journal of chemical information and modeling 56 (4), 599-604, 2016 | 482 | 2016 |
| 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 | 361 | 2015 |
| Taking into Account the Ion-Induced Dipole Interaction in the Nonbonded Model of Ions P Li, KM Merz Jr Journal of Chemical Theory and Computation 10 (1), 289-297, 2014 | 355 | 2014 |
| Metal ion modeling using classical mechanics P Li, KM Merz Jr Chemical reviews 117 (3), 1564-1686, 2017 | 313 | 2017 |
| 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, 2014 | 287 | 2014 |
| AMBER 2015 DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ... University of California, 2015 | 267* | 2015 |
| AMBER 2018 TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ... University of California, San Francisco, 2018 | 222* | 2018 |
| QM/MM studies into the H2O2-dependent activity of lytic polysaccharide monooxygenases: evidence for the formation of a caged hydroxyl radical intermediate B Wang, EM Johnston, P Li, S Shaik, GJ Davies, PH Walton, C Rovira ACS Catalysis 8 (2), 1346-1351, 2018 | 130 | 2018 |
| AMBER 2016 DS Cerutti, TE Cheatham III, TA Darden, RE Duke, TJ Giese, H Gohlke, ... University of California, San Francisco, 2016 | 123* | 2016 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of Chemical Information and Modeling, 2023 | 101 | 2023 |
| 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, 2021 | 94 | 2021 |
| Systematic Parameterization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models Z Li, LF Song, P Li, KM Merz Journal of Chemical Theory and Computation, 2020 | 68 | 2020 |
| AMBER 2020 TA Darden, RE Duke, G Giambasu, MK Gilson, H Gohlke, AW Goetz, ... University of California, San Francisco, 2020 | 55* | 2020 |
| Fundamental Insights into Proton-Coupled Electron Transfer in Soybean Lipoxygenase from Quantum Mechanical/Molecular Mechanical Free Energy Simulations P Li, AV Soudackov, S Hammes-Schiffer Journal of the American Chemical Society 140 (8), 3068-3076, 2018 | 52 | 2018 |
| Extended Zinc AMBER Force Field (EZAFF) Z Yu, P Li, KM Merz Jr Journal of chemical theory and computation 14 (1), 242-254, 2017 | 50 | 2017 |
| Vibrational signatures of isomeric lithiated N-acetyl-d-hexosamines by Gas-phase infrared multiple-photon dissociation (IRMPD) spectroscopy Y Tan, N Zhao, J Liu, P Li, CN Stedwell, L Yu, NC Polfer Journal of The American Society for Mass Spectrometry 28 (3), 539-550, 2017 | 36 | 2017 |
| AMBER 2017, 2017 D Case, D Cerutti, TE Cheatham III, TA Darden, RE Duke, TJ Giese, ... San Francisco: University of California, 0 | 35* | |
| Formation of an unusual glutamine tautomer in a blue light using flavin photocycle characterizes the light-adapted state JJ Goings, P Li, Q Zhu, S Hammes-Schiffer Proceedings of the National Academy of Sciences, 2020 | 33 | 2020 |
