| Lipid14: the amber lipid force field CJ Dickson, BD Madej, ÅA Skjevik, RM Betz, K Teigen, IR Gould, ... Journal of chemical theory and computation 10 (2), 865-879, 2014 | 1319 | 2014 |
| GAFFlipid: a General Amber Force Field for the accurate molecular dynamics simulation of phospholipid CJ Dickson, L Rosso, RM Betz, RC Walker, IR Gould Soft Matter 8 (37), 9617-9627, 2012 | 269 | 2012 |
| Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening L Chen, A Cruz, S Ramsey, CJ Dickson, JS Duca, V Hornak, DR Koes, ... PloS one 14 (8), e0220113, 2019 | 250 | 2019 |
| Lipid21: complex lipid membrane simulations with AMBER CJ Dickson, RC Walker, IR Gould Journal of chemical theory and computation 18 (3), 1726-1736, 2022 | 180 | 2022 |
| Structure–kinetic relationships of passive membrane permeation from multiscale modeling CJ Dickson, V Hornak, RA Pearlstein, JS Duca Journal of the American Chemical Society 139 (1), 442-452, 2017 | 123 | 2017 |
| Imaging phase separation in model lipid membranes through the use of BODIPY based molecular rotors MR Dent, I López-Duarte, CJ Dickson, ND Geoghegan, JM Cooper, ... Physical Chemistry Chemical Physics 17 (28), 18393-18402, 2015 | 123 | 2015 |
| Lipid17: A comprehensive AMBER force field for the simulation of zwitterionic and anionic lipids IR Gould, AA Skjevik, CJ Dickson, BD Madej, RC Walker Manuscript in preparation, 2018 | 69 | 2018 |
| All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields ÅA Skjevik, BD Madej, CJ Dickson, K Teigen, RC Walker, IR Gould Chemical communications 51 (21), 4402-4405, 2015 | 69 | 2015 |
| Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease A Pavlova, DL Lynch, I Daidone, L Zanetti-Polzi, MD Smith, C Chipot, ... Chemical science 12 (4), 1513-1527, 2021 | 64 | 2021 |
| Simulation of lipid bilayer self-assembly using all-atom lipid force fields ÅA Skjevik, BD Madej, CJ Dickson, C Lin, K Teigen, RC Walker, IR Gould Physical Chemistry Chemical Physics 18 (15), 10573-10584, 2016 | 58 | 2016 |
| Imaging plasma membrane phase behaviour in live cells using a thiophene-based molecular rotor MR Dent, I López-Duarte, CJ Dickson, P Chairatana, HL Anderson, ... Chemical Communications 52 (90), 13269-13272, 2016 | 44 | 2016 |
| Revealing molecular determinants of hERG blocker and activator binding CJ Dickson, C Velez-Vega, JS Duca Journal of chemical information and modeling 60 (1), 192-203, 2019 | 40 | 2019 |
| Chalcogen OCF3 Isosteres modulate drug properties without introducing inherent liabilities C Ghiazza, T Billard, C Dickson, A Tlili, CM Gampe ChemMedChem 14 (17), 1586-1589, 2019 | 40 | 2019 |
| Uncoupling the structure–activity relationships of β2 adrenergic receptor ligands from membrane binding CJ Dickson, V Hornak, C Velez-Vega, DJJ McKay, J Reilly, DA Sandham, ... Journal of medicinal chemistry 59 (12), 5780-5789, 2016 | 35 | 2016 |
| Using membrane partitioning simulations to predict permeability of forty-nine drug-like molecules CJ Dickson, V Hornak, D Bednarczyk, JS Duca Journal of Chemical Information and Modeling 59 (1), 236-244, 2018 | 34 | 2018 |
| Contributions of the membrane dipole potential to the function of voltage-gated cation channels and modulation by small molecule potentiators RA Pearlstein, CJ Dickson, V Hornak Biochimica et biophysica acta (BBA)-Biomembranes 1859 (2), 177-194, 2017 | 33 | 2017 |
| Combined free-energy calculation and machine learning methods for understanding ligand unbinding kinetics M Badaoui, PJ Buigues, D Berta, GM Mandana, H Gu, T Foldes, ... Journal of chemical theory and computation 18 (4), 2543-2555, 2022 | 32 | 2022 |
| Calculating kinetic rates and membrane permeability from biased simulations M Badaoui, A Kells, C Molteni, CJ Dickson, V Hornak, E Rosta The Journal of Physical Chemistry B 122 (49), 11571-11578, 2018 | 30 | 2018 |
| ¡. a. Skjevik, RM Betz, K. Teigen, IR Gould, RC Walker CJ Dickson, BD Madej J. Chem. Theory Comput 10 (2), 865-879, 2014 | 17 | 2014 |
| Building new bridges between in vitro and in vivo in early drug discovery: Where molecular modeling meets systems biology RA Pearlstein, DJJ McKay, V Hornak, C Dickson, A Golosov, T Harrison, ... Current topics in medicinal chemistry 17 (23), 2642-2662, 2017 | 15 | 2017 |