| Mechanism of voltage gating in potassium channels MØ Jensen, V Jogini, DW Borhani, AE Leffler, RO Dror, DE Shaw Science 336 (6078), 229-233, 2012 | 639 | 2012 |
| Estrogen alters spine number and morphology in prefrontal cortex of aged female rhesus monkeys J Hao, PR Rapp, AE Leffler, SR Leffler, WGM Janssen, W Lou, H McKay, ... Journal of Neuroscience 26 (9), 2571-2578, 2006 | 289 | 2006 |
| Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models AE Leffler, A Kuryatov, HA Zebroski, SR Powell, P Filipenko, AK Hussein, ... Proceedings of the National Academy of Sciences 114 (38), E8100-E8109, 2017 | 62 | 2017 |
| From mollusks to medicine: A venomics approach for the discovery and characterization of therapeutics from Terebridae peptide toxins A Verdes, P Anand, J Gorson, S Jannetti, P Kelly, A Leffler, D Simpson, ... Toxins 8 (4), 117, 2016 | 48 | 2016 |
| How does a small molecule bind at a cryptic binding site? Y Shan, VP Mysore, AE Leffler, ET Kim, S Sagawa, DE Shaw PLOS Computational Biology 18 (3), e1009817, 2022 | 22 | 2022 |
| AutoDesigner, a de novo design algorithm for rapidly exploring large chemical space for lead optimization: Application to the design and synthesis of d-amino acid oxidase … PH Bos, EM Houang, F Ranalli, AE Leffler, NA Boyles, VA Eyrich, Y Luria, ... Journal of Chemical Information and Modeling 62 (8), 1905-1915, 2022 | 13 | 2022 |
| Potency-Enhancing Mutations of Gating Modifier Toxins for the Voltage-Gated Sodium Channel NaV1. 7 Can Be Predicted Using Accurate Free-Energy Calculations D Katz, D Sindhikara, M DiMattia, AE Leffler Toxins 13 (3), 193, 2021 | 12 | 2021 |
| Potency-and Selectivity-Enhancing Mutations of Conotoxins for Nicotinic Acetylcholine Receptors Can Be Predicted Using Accurate Free-Energy Calculations D Katz, MA DiMattia, D Sindhikara, H Li, N Abraham, AE Leffler Marine Drugs 19 (7), 367, 2021 | 10 | 2021 |
| Discovery of an intrasubunit nicotinic acetylcholine receptor–binding site for the positive allosteric modulator Br-PBTC J Norleans, J Wang, A Kuryatov, A Leffler, C Doebelin, TM Kamenecka, ... Journal of Biological Chemistry 294 (32), 12132-12145, 2019 | 9 | 2019 |
| Substituted isoindolin-1-ones and 2, 3-dihydro-1H-pyrrol [3, 4-c] pyridin-1-ones as HPK1 antagonists N Kaila, I Linney, S Ward, G Wishart, B Whittaker, A Cote, JR Greenwood, ... US Patent 11,078,201, 2021 | 7 | 2021 |
| Substituted isoindolin-1-ones and 2, 3-dihydro-1H-pyrrolo [3, 4-c] pyridin-1-ones as HPK1 antagonists N Kaila, I Linney, S Ward, G Wishart, B Whittaker, A Cote, JR Greenwood, ... US Patent 11,034,694, 2021 | 7 | 2021 |
| Hpk1 antagonists and uses thereof N Kaila, I Linney, S Ward, G Wishart, B Whittaker, A Cote, JR Greenwood, ... US Patent App. 17/018,591, 2021 | 6 | 2021 |
| Water Thermodynamics of Peptide Toxin Binding Sites on Ion Channels B Shah, D Sindhikara, K Borrelli, AE Leffler Toxins 12 (10), 652, 2020 | 4 | 2020 |
| Substituted isoindolin-1-ones and 2, 3-dihydro-1h-pyrrolo [3, 4-c] pyridin-1-ones as hpk1 antagonists N Kaila, I Linney, S Ward, G Wishart, B Whittaker, A Cote, JR Greenwood, ... US Patent 11,028,085, 2021 | 3 | 2021 |
| Substituted isoindolin-1-ones and 2, 3-dihydro-1h-pyrrolo [3, 4-c] pyridin-1-ones as HPK1 antagonists N Kaila, I Linney, S Ward, G Wishart, B Whittaker, A Cote, JR Greenwood, ... US Patent 11,021,481, 2021 | 3 | 2021 |
| Basic residues at position 11 of α-conotoxin LvIA influence subtype selectivity between α3β2 and α3β4 nicotinic receptors via an electrostatic mechanism Y Haufe, V Kuruva, Z Samanani, G Lokaj, G Kamnesky, ... ACS Chemical Neuroscience 14 (24), 4311-4322, 2023 | 1 | 2023 |
| HPK1 antagonists and uses thereof N Kaila, I Linney, S Ward, G Wishart, B Whittaker, A Cote, JR Greenwood, ... US Patent 11,548,890, 2023 | 1 | 2023 |
| Hpk1 antagonists and uses thereof N Kaila, I Linney, S Ward, G Wishart, B Whittaker, A Cote, JR Greenwood, ... US Patent App. 18/350,536, 2024 | | 2024 |
| Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity DW Carney, AE Leffler, JA Bell, AS Chandrasinghe, C Cheng, E Chang, ... Bioorganic & Medicinal Chemistry, 117577, 2024 | | 2024 |
| HETEROCYCLIC COMPOUNDS AND METHODS OF USE AM Levinson, E Houang, AE Leffler, A Placzek, A Ruvinsky, ... US Patent App. 18/164,346, 2023 | | 2023 |
