| Acid activation mechanism of the influenza A M2 proton channel R Liang, JMJ Swanson, JJ Madsen, M Hong, WF DeGrado, GA Voth Proceedings of the National Academy of Sciences 113 (45), E6955-E6964, 2016 | 97 | 2016 |
| Multiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel R Liang, H Li, JMJ Swanson, GA Voth Proceedings of the National Academy of Sciences 111 (26), 9396-9401, 2014 | 92 | 2014 |
| On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics SJ Cotton, R Liang, WH Miller The Journal of Chemical Physics 147 (6), 2017 | 75 | 2017 |
| Multiscale simulations reveal key features of the proton-pumping mechanism in cytochrome c oxidase R Liang, JMJ Swanson, Y Peng, M Wikström, GA Voth Proceedings of the National Academy of Sciences 113 (27), 7420–7425, 2016 | 73 | 2016 |
| Application of the SCC-DFTB method to hydroxide water clusters and aqueous hydroxide solutions TH Choi, R Liang, CM Maupin, GA Voth The Journal of Physical Chemistry B 117 (17), 5165-5179, 2013 | 71 | 2013 |
| Parallel molecular mechanisms for enzyme temperature adaptation MM Pinney, DA Mokhtari, E Akiva, F Yabukarski, DM Sanchez, R Liang, ... Science 371 (6533), eaay2784, 2021 | 70 | 2021 |
| Computationally efficient multiscale reactive molecular dynamics to describe amino acid deprotonation in proteins S Lee, R Liang, GA Voth, JMJ Swanson Journal of chemical theory and computation 12 (2), 879-891, 2016 | 59 | 2016 |
| Nonadiabatic dynamics simulation of the wavelength-dependent photochemistry of azobenzene excited to the nπ* and ππ* excited states JK Yu, C Bannwarth, R Liang, EG Hohenstein, TJ Martínez Journal of the American Chemical Society 142 (49), 20680-20690, 2020 | 56 | 2020 |
| First-principles characterization of the elusive I fluorescent state and the structural evolution of retinal protonated Schiff base in bacteriorhodopsin JK Yu, R Liang, F Liu, TJ Martínez Journal of the American Chemical Society 141 (45), 18193-18203, 2019 | 47 | 2019 |
| The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers R Liang, SJ Cotton, R Binder, R Hegger, I Burghardt, WH Miller The Journal of chemical physics 149 (4), 2018 | 44 | 2018 |
| Understanding the essential proton-pumping kinetic gates and decoupling mutations in cytochrome c oxidase R Liang, JMJ Swanson, M Wikström, GA Voth Proceedings of the National Academy of Sciences 114 (23), 5924-5929, 2017 | 39 | 2017 |
| Benchmark study of the SCC-DFTB approach for a biomolecular proton channel R Liang, JMJ Swanson, GA Voth Journal of chemical theory and computation 10 (1), 451-462, 2014 | 39 | 2014 |
| Structural coupling throughout the active site hydrogen bond networks of ketosteroid isomerase and photoactive yellow protein MM Pinney, A Natarajan, F Yabukarski, DM Sanchez, F Liu, R Liang, ... Journal of the American Chemical Society 140 (31), 9827-9843, 2018 | 38 | 2018 |
| Proton-induced conformational and hydration dynamics in the influenza A M2 channel LC Watkins, R Liang, JMJ Swanson, WF DeGrado, GA Voth Journal of the American Chemical Society 141 (29), 11667-11676, 2019 | 31 | 2019 |
| Nonadiabatic photodynamics of retinal protonated Schiff base in channelrhodopsin 2 R Liang, F Liu, TJ Martínez The journal of physical chemistry letters 10 (11), 2862-2868, 2019 | 29 | 2019 |
| Electrostatic control of photoisomerization in channelrhodopsin 2 R Liang, JK Yu, J Meisner, F Liu, TJ Martinez Journal of the American Chemical Society 143 (14), 5425-5437, 2021 | 19 | 2021 |
| First-Principles Nonadiabatic Dynamics Simulation of Azobenzene Photodynamics in Solutions R Liang Journal of Chemical Theory and Computation 17 (5), 3019-3030, 2021 | 13 | 2021 |
| Molecular basis for the cation selectivity of Salmonella typhimurium melibiose permease S Katsube, R Liang, A Amin, P Hariharan, L Guan Journal of molecular biology 434 (12), 167598, 2022 | 7 | 2022 |
| Effects of enzyme–ligand interactions on the photoisomerization of a light-regulated chemotherapeutic drug R Liang, A Bakhtiiari The Journal of Physical Chemistry B 126 (12), 2382-2393, 2022 | 6 | 2022 |
| Protein confinement fine-tunes aggregation-induced emission in human serum albumin R Liang, D Das, A Bakhtiiari Physical Chemistry Chemical Physics 23 (46), 26263-26272, 2021 | 5 | 2021 |
Gregory A. VothHaig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of ChicagoVerified email at uchicago.edu
