| Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020 | 156 | 2020 |
| Ensemble docking in drug discovery: how many protein configurations from molecular dynamics simulations are needed to reproduce known ligand binding? W Evangelista Falcon, SR Ellingson, JC Smith, J Baudry The Journal of Physical Chemistry B 123 (25), 5189-5195, 2019 | 87 | 2019 |
| Ammonia permeability of the soybean nodulin 26 channel JH Hwang, SR Ellingson, DM Roberts FEBS letters 584 (20), 4339-4343, 2010 | 82 | 2010 |
| Known and novel post-transcriptional regulatory sequences are conserved across plant families JN Vaughn, SR Ellingson, F Mignone, A Von Arnim Rna 18 (3), 368-384, 2012 | 80 | 2012 |
| Multi-conformer ensemble docking to difficult protein targets SR Ellingson, Y Miao, J Baudry, JC Smith The Journal of Physical Chemistry B 119 (3), 1026-1034, 2015 | 79 | 2015 |
| VinaMPI: Facilitating multiple receptor high‐throughput virtual docking on high‐performance computers SR Ellingson, JC Smith, J Baudry Journal of computational chemistry 34 (25), 2212-2221, 2013 | 74 | 2013 |
| Reassessment of Risk Genotypes ( GRN , TMEM106B , and ABCC9 Variants) Associated With Hippocampal Sclerosis of … PT Nelson, WX Wang, AB Partch, SE Monsell, O Valladares, SR Ellingson, ... Journal of Neuropathology & Experimental Neurology 74 (1), 75-84, 2015 | 62 | 2015 |
| Ensemble-based docking: From hit discovery to metabolism and toxicity predictions W Evangelista, RL Weir, SR Ellingson, JB Harris, K Kapoor, JC Smith, ... Bioorganic & medicinal chemistry 24 (20), 4928-4935, 2016 | 48 | 2016 |
| High‐throughput virtual molecular docking with AutoDockCloud SR Ellingson, J Baudry Concurrency and Computation: Practice and Experience 26 (4), 907-916, 2014 | 34 | 2014 |
| Machine learning and ligand binding predictions: a review of data, methods, and obstacles SR Ellingson, B Davis, J Allen Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (6), 129545, 2020 | 33 | 2020 |
| Detection of Bacillus anthracis DNA in Complex Soil and Air Samples Using Next-Generation Sequencing NA Be, JB Thissen, SN Gardner, KS McLoughlin, VY Fofanov, ... PLOS one 8 (9), e73455, 2013 | 30 | 2013 |
| Polypharmacology and supercomputer-based docking: opportunities and challenges SR Ellingson, JC Smith, J Baudry Molecular Simulation 40 (10-11), 848-854, 2014 | 28 | 2014 |
| Gene-based association study of genes linked to hippocampal sclerosis of aging neuropathology: GRN, TMEM106B, ABCC9, and KCNMB2 Y Katsumata, PT Nelson, SR Ellingson, DW Fardo Neurobiology of aging 53, 193. e17-193. e25, 2017 | 26 | 2017 |
| High-throughput virtual molecular docking: Hadoop implementation of AutoDock4 on a private cloud SR Ellingson, J Baudry Proceedings of the second international workshop on Emerging computational …, 2011 | 23 | 2011 |
| Accelerating virtual high‐throughput ligand docking: current technology and case study on a petascale supercomputer SR Ellingson, S Dakshanamurthy, M Brown, JC Smith, J Baudry Concurrency and Computation: Practice and Experience 26 (6), 1268-1277, 2014 | 16 | 2014 |
| Genetic comparison of symptomatic and asymptomatic persons with Alzheimer disease neuropathology SE Monsell, C Mock, DW Fardo, S Bertelsen, NJ Cairns, CM Roe, ... Alzheimer Disease & Associated Disorders 31 (3), 232-238, 2017 | 15 | 2017 |
| Automated quality control for genome wide association studies SR Ellingson, DW Fardo F1000Research 5, 2016 | 14 | 2016 |
| KEAP1 Is required for artesunate anticancer activity in non-small-cell lung cancer KS Hill, A McDowell, JR McCorkle, E Schuler, SR Ellingson, R Plattner, ... Cancers 13 (8), 1885, 2021 | 12 | 2021 |
| Incorporating protein dynamics through ensemble docking in machine learning models to predict drug binding F Alghamedy, J Bopaiah, D Jones, X Zhang, HL Weiss, SR Ellingson AMIA Summits on Translational Science Proceedings 2018, 26, 2018 | 12 | 2018 |
| Characterization of squamous cell lung cancers from Appalachian Kentucky J Liu, T Murali, T Yu, C Liu, TA Sivakumaran, HNB Moseley, IB Zhulin, ... Cancer Epidemiology, Biomarkers & Prevention 28 (2), 348-356, 2019 | 8 | 2019 |
