| SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... Nature chemistry 13 (7), 651-659, 2021 | 142* | 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 | 76 | 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 | 36 | 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 | 32 | 2021 |
| Citizen scientists create an exascale computer to combat COVID-19 MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... BioRxiv, 2020.06. 27.175430, 2020 | 31 | 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 | 25 | 2019 |
| 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 | 13 | 2020 |
| Open science discovery of oral non-covalent SARS-CoV-2 main protease inhibitor therapeutics COVID Moonshot Consortium, H Achdout, A Aimon, E Bar-David, H Barr, ... BioRxiv, 2020.10. 29.339317, 2020 | 12 | 2020 |
| 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 | 6 | 2021 |
| 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 | 5 | 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, 793, 2022 | 2 | 2022 |
| 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 | | 2022 |
| 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 |
| Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitor Therapeutics (preprint) H Achdout, A Aimon, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, ... | | 2020 |
| Enhanced Sampling and Bayesian Inference to Model the Conformational Dynamics of Peptoid Macrocycles M Hurley, JD Northrup, V Voelz, C Schafmeister Biophysical Journal 114 (3), 558a, 2018 | | 2018 |
| Probing the effects of N-methylation on peptide-protein interactions using alchemical free energy perturbation M Hurley, A Wakefield, V Voelz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Page numbers in italics refer to abstracts of papers given at a meeting of the Genetical Society and to titles of books reviewed. F Ahmad, RM Anderson, HN Arst, R Aubin, RC Aylmore, ... Sang 1 (274), 284-285, 0 | | |
