| Characterization and engineering of a plastic-degrading aromatic polyesterase HP Austin, MD Allen, BS Donohoe, NA Rorrer, FL Kearns, RL Silveira, ... Proceedings of the National Academy of Sciences 115 (19), E4350-E4357, 2018 | 855 | 2018 |
| Characterization and engineering of a two-enzyme system for plastics depolymerization BC Knott, E Erickson, MD Allen, JE Gado, R Graham, FL Kearns, I Pardo, ... Proceedings of the National Academy of Sciences 117 (41), 25476-25485, 2020 | 344 | 2020 |
| A glycan gate controls opening of the SARS-CoV-2 spike protein T Sztain, SH Ahn, AT Bogetti, L Casalino, JA Goldsmith, E Seitz, ... Nature chemistry 13 (10), 963-968, 2021 | 277 | 2021 |
| Transmissible SARS-CoV-2 variants with resistance to clinical protease inhibitors SA Moghadasi, E Heilmann, AM Khalil, C Nnabuife, FL Kearns, C Ye, ... Science advances 9 (13), eade8778, 2023 | 82 | 2023 |
| # COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ... The international journal of high performance computing applications 37 (1 …, 2023 | 59 | 2023 |
| Spike-heparan sulfate interactions in SARS-CoV-2 infection FL Kearns, DR Sandoval, L Casalino, TM Clausen, MA Rosenfeld, ... Current Opinion in Structural Biology 76, 102439, 2022 | 47 | 2022 |
| GlycoGrip: Cell Surface-Inspired Universal Sensor for Betacoronaviruses SH Kim, FL Kearns, MA Rosenfeld, L Casalino, MJ Papanikolas, ... ACS central science 8 (1), 22-42, 2021 | 39 | 2021 |
| Mechanism of proton transfer in class A β-lactamase catalysis and inhibition by avibactam OA Pemberton, RE Noor, V Kumar MV, R Sanishvili, MT Kemp, FL Kearns, ... Proceedings of the National Academy of Sciences 117 (11), 5818-5825, 2020 | 38 | 2020 |
| Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities FL Kearns, PS Hudson, HL Woodcock, S Boresch Journal of Computational Chemistry 38 (16), 1376-1388, 2017 | 35 | 2017 |
| Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes PS Hudson, JK White, FL Kearns, M Hodoscek, S Boresch, HL Woodcock Biochimica et Biophysica Acta (BBA)-General Subjects 1850 (5), 944-953, 2015 | 32 | 2015 |
| Comparison between ab initio and polarizable molecular dynamics simulations of 1-butyl-3-methylimidazolium tetrafluoroborate and chloride in water A Szabadi, R Elfgen, R Macchieraldo, FL Kearns, HL Woodcock, ... Journal of Molecular Liquids 337, 116521, 2021 | 18 | 2021 |
| Identification of ecdysone hormone receptor agonists as a therapeutic approach for treating filarial infections AS Mhashilkar, SL Vankayala, C Liu, F Kearns, P Mehrotra, G Tzertzinis, ... PLoS Neglected Tropical Diseases 10 (6), e0004772, 2016 | 18 | 2016 |
| SARS-CoV-2 evolved variants optimize binding to cellular glycocalyx SH Kim, FL Kearns, MA Rosenfeld, L Votapka, L Casalino, M Papanikolas, ... Cell Reports Physical Science 4 (4), 2023 | 17 | 2023 |
| Targeted protein S-nitrosylation of ACE2 inhibits SARS-CoV-2 infection C Oh, T Nakamura, N Beutler, X Zhang, J Piña-Crespo, M Talantova, ... Nature chemical biology 19 (3), 275-283, 2023 | 17 | 2023 |
| The good, the bad, and the ugly:“HiPen”, a new dataset for validating (S) QM/MM free energy simulations FL Kearns, L Warrensford, S Boresch, HL Woodcock Molecules 24 (4), 681, 2019 | 15 | 2019 |
| Glycoproteomic landscape and structural dynamics of TIM family immune checkpoints enabled by mucinase SmE J Chongsaritsinsuk, AD Steigmeyer, KE Mahoney, MA Rosenfeld, ... Nature Communications 14 (1), 6169, 2023 | 14 | 2023 |
| Optimizing the calculation of free energy differences in nonequilibrium work SQM/MM switching simulations A Schöller, F Kearns, HL Woodcock, S Boresch The Journal of Physical Chemistry B 126 (15), 2798-2811, 2022 | 11 | 2022 |
| Elucidating a chemical defense mechanism of Antarctic sponges: a computational study SL Vankayala, FL Kearns, BJ Baker, JD Larkin, HL Woodcock Journal of Molecular Graphics and Modelling 71, 104-115, 2017 | 11 | 2017 |
| Natural protection of ocular surface from viral infections–a hypothesis K Zimmerman, F Kearns, R Tzekov Medical Hypotheses 143, 110082, 2020 | 8 | 2020 |
| Positively bound: remapping of increased positive charge drives SARS-CoV-2 spike evolution to optimize its binding to cell surface receptors SH Kim, FL Kearns, MA Rosenfeld, L Votapka, L Casalino, M Papanikolas, ... American Chemical Society (ACS), 2022 | 7 | 2022 |
