| SARS-CoV-2 simulations go exascale to capture spike opening and reveal cryptic pockets across the proteome MI Zimmerman, G Bowman Biophysical Journal 120 (3), 299a, 2021 | 195 | 2021 |
| SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ... Cell Stem Cell 29 (2), 217-231. e8, 2022 | 140 | 2022 |
| COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine … H Achdout, A Aimon, E Bar-David, GM Morris BioRxiv, 2020 | 49 | 2020 |
| Assigning confidence to molecular property prediction AK Nigam, R Pollice, MFD Hurley, RJ Hickman, M Aldeghi, N Yoshikawa, ... Expert opinion on drug discovery 16 (9), 1009-1023, 2021 | 39 | 2021 |
| Citizen scientists create an exascale computer to combat COVID-19 MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... BioRxiv, 2020 | 32 | 2020 |
| Fluorinated aromatic monomers as building blocks to control α-peptoid conformation and structure D Gimenez, G Zhou, MFD Hurley, JA Aguilar, VA Voelz, SL Cobb Journal of the American Chemical Society 141 (8), 3430-3434, 2019 | 32 | 2019 |
| Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors COVID Moonshot Consortium, H Achdout, A Aimon, DS Alonzi, R Arbon, ... BioRxiv, 2020.10. 29.339317, 2020 | 31 | 2020 |
| Collaborative study for the establishment of a WHO international standard for SARS-CoV-2 RNA E Bentley, ET Mee, S Routley, R Mate, M Fritzsche, M Hurley, Y Le Duff, ... WHO/BS20202402, 2020 | 17 | 2020 |
| Metal cation-binding mechanisms of q-proline peptoid macrocycles in solution MFD Hurley, JD Northrup, Y Ge, CE Schafmeister, VA Voelz Journal of chemical information and modeling 61 (6), 2818-2828, 2021 | 8 | 2021 |
| Metal-binding q-proline macrocycles JD Northrup, JA Wiener, MFD Hurley, CFD Hou, TM Keller, RHG Baxter, ... The Journal of Organic Chemistry 86 (6), 4867-4876, 2021 | 7 | 2021 |
| Expanding the malaria antibody toolkit: Development and characterisation of plasmodium falciparum RH5, CyRPA, and CSP recombinant human monoclonal antibodies A Nacer, G Kivi, R Pert, E Juronen, P Holenya, E Aliprandini, R Amino, ... Frontiers in Cellular and Infection Microbiology 12, 901253, 2022 | 5 | 2022 |
| Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ... Science 382 (6671), eabo7201, 2023 | 4 | 2023 |
| Assessment of the Biological Impact of SARS-CoV-2 Genetic Variation Using an Authentic Virus Neutralisation Assay with Convalescent Plasma, Vaccinee Sera, and Standard Reagents NS Coombes, KR Bewley, Y Le Duff, M Hurley, LJ Smith, TM Weldon, ... Viruses 15 (3), 633, 2023 | 2 | 2023 |
| Expanded ensemble predictions of absolute binding free energies in the SAMPL9 host--guest challenge MFD Hurley, RM Raddi, JG Pattis, V Voelz | 1 | 2023 |
| Intrinsic host susceptibility among multiple species to intranasal SARS-CoV-2 identifies diverse virological, biodistribution and pathological outcomes N Berry, D Ferguson, S Kempster, J Hall, C Ham, A Jenkins, V Rannow, ... Scientific Reports 12 (1), 18694, 2022 | 1 | 2022 |
| Assessing the variability of cell-associated HIV DNA quantification through a multicenter collaborative study Y Le Duff, K Gärtner, EJ Busby, A Dalzini, S Danaviah, JLJ Fuentes, ... Microbiology Spectrum 10 (3), e00243-22, 2022 | 1 | 2022 |
| Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors AK Nigam, MFD Hurley, F Li, E Konkoĭová, M Klíma, J Trylčová, R Pollice, ... bioRxiv, 2023 | | 2023 |
| Advancing Simulation Methods for Molecular Design and Drug Discovery MFD Hurley Temple University, 2022 | | 2022 |
| Binding of MDM2 Inhibitors via Biased Sampling and Multi-Ensemble Markov Models MF Hurley, V Voelz Biophysical Journal 118 (3), 298a-299a, 2020 | | 2020 |
| Evidence for adaptive evolution in the receptor-binding domain of seasonal coronaviruses (preprint) K Kistler, T Bedford, A Undale, K Arora, NM Arora, BPD Purkayastha, ... | | 2020 |
