| Proton movement and coupling in the POT family of peptide transporters JL Parker, C Li, A Brinth, Z Wang, L Vogeley, N Solcan, ... Proceedings of the National Academy of Sciences 114 (50), 13182-13187, 2017 | 76 | 2017 |
| Dynamic protonation dramatically affects the membrane permeability of drug-like molecules Z Yue, C Li, GA Voth, JMJ Swanson Journal of the American Chemical Society 141 (34), 13421-13433, 2019 | 61 | 2019 |
| Resolving the structural debate for the hydrated excess proton in water PB Calio, C Li, GA Voth Journal of the American Chemical Society 143 (44), 18672-18683, 2021 | 41 | 2021 |
| Structural characterization of protonated water clusters confined in HZSM-5 zeolites JH Hack, JP Dombrowski, X Ma, Y Chen, NHC Lewis, WB Carpenter, C Li, ... Journal of the American Chemical Society 143 (27), 10203-10213, 2021 | 40 | 2021 |
| Understanding and tracking the excess proton in Ab Initio simulations; Insights from IR spectra C Li, JMJ Swanson The Journal of Physical Chemistry B 124 (27), 5696-5708, 2020 | 28 | 2020 |
| Static and dynamic correlations in water: comparison of classical ab initio molecular dynamics at elevated temperature with path integral simulations at ambient temperature C Li, F Paesani, GA Voth Journal of chemical theory and computation 18 (4), 2124-2131, 2022 | 22 | 2022 |
| A quantitative paradigm for water-assisted proton transport through proteins and other confined spaces C Li, GA Voth Proceedings of the National Academy of Sciences 118 (49), e2113141118, 2021 | 20 | 2021 |
| Using Machine Learning to Greatly Accelerate Path Integral Ab Initio Molecular Dynamics C Li, GA Voth Journal of chemical theory and computation 18 (2), 599-604, 2022 | 19 | 2022 |
| Water-assisted proton transport in confined nanochannels X Ma, C Li, ABF Martinson, GA Voth The Journal of Physical Chemistry C 124 (29), 16186-16201, 2020 | 19 | 2020 |
| Molecular origins of the barriers to proton transport in acidic aqueous solutions PB Calio, C Li, GA Voth The Journal of Physical Chemistry B 124 (40), 8868-8876, 2020 | 18 | 2020 |
| The hopping mechanism of the hydrated excess proton and its contribution to proton diffusion in water C Arntsen, C Chen, PB Calio, C Li, GA Voth The Journal of Chemical Physics 154 (19), 2021 | 17 | 2021 |
| Accurate and transferable reactive molecular dynamics models from constrained density functional theory C Li, GA Voth The Journal of Physical Chemistry B 125 (37), 10471-10480, 2021 | 15 | 2021 |
| Multiscale simulation reveals passive proton transport through SERCA on the microsecond timescale C Li, Z Yue, LM Espinoza-Fonseca, GA Voth Biophysical Journal 119 (5), 1033-1040, 2020 | 15 | 2020 |
| Key factors governing initial stages of lipid droplet formation S Kim, C Li, RV Farese Jr, TC Walther, GA Voth The Journal of Physical Chemistry B 126 (2), 453-462, 2022 | 14 | 2022 |
| What coordinate best describes the affinity of the hydrated excess proton for the air–water interface? Z Li, C Li, Z Wang, GA Voth The Journal of Physical Chemistry B 124 (24), 5039-5046, 2020 | 13 | 2020 |
| Key computational findings reveal proton transfer as driving the functional cycle in the phosphate transporter PiPT Y Liu, C Li, M Gupta, N Verma, AK Johri, RM Stroud, GA Voth Proceedings of the National Academy of Sciences 118 (25), e2101932118, 2021 | 12 | 2021 |
| Using constrained density functional theory to track proton transfers and to sample their associated free energy surface C Li, GA Voth Journal of Chemical Theory and Computation 17 (9), 5759-5765, 2021 | 11 | 2021 |
| Proton coupling and the multiscale kinetic mechanism of a peptide transporter C Li, Z Yue, S Newstead, GA Voth Biophysical Journal 121 (12), 2266-2278, 2022 | 9 | 2022 |
| Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} Torus DT Chen, P Helms, AR Hale, M Lee, C Li, J Gray, G Christou, VS Zapf, ... The Journal of Physical Chemistry Letters 13 (10), 2365-2370, 2022 | 7 | 2022 |
| Toward a Multipathway Perspective: pH-Dependent Kinetic Selection of Competing Pathways and the Role of the Internal Glutamate in Cl–/H+ Antiporters Z Yue, A Bernardi, C Li, AV Mironenko, JMJ Swanson The Journal of Physical Chemistry B 125 (29), 7975-7984, 2021 | 6 | 2021 |
Gregory A. VothHaig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of ChicagoVerified email at uchicago.edu
