| Predictors of COVID-19 epidemics in countries of the World Health Organization African Region F Zhang, H Karamagi, N Nsenga, M Nanyunja, M Karinja, S Amanfo, ... Nature medicine 27 (11), 2041-2047, 2021 | 39 | 2021 |
| SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation M McGibbon, S Money-Kyrle, V Blay, DR Houston Journal of Advanced Research 46, 135-147, 2023 | 27 | 2023 |
| From intuition to AI: evolution of small molecule representations in drug discovery M McGibbon, S Shave, J Dong, Y Gao, DR Houston, J Xie, Y Yang, ... Briefings in bioinformatics 25 (1), bbad422, 2024 | 23 | 2024 |
| Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics L Segura, N Santos, R Flores, D Sikazwe, M McGibbon, V Blay, ... Molecules 29 (12), 2818, 2024 | 2 | 2024 |
| Abstract 2360 Identifying Neuroprotective Small Molecules Targeting Membrane-Bound Tau Oligomers with Physics and Machine Learning-based Models L Segura, N Santos, K Cheng, R Flores, D Sikazwe, M McGibbon, V Blay Journal of Biological Chemistry 300 (3), 2024 | | 2024 |
| Targeting anti-aggregation and anti-oxidation of amyloid deposits for therapeutic intervention of Alzheimer’s using machine learning-enhanced molecular docking LY Segura, N Santos, KHK Cheng, D Sikazwe, R Flores, VB Rogers, ... Biophysical Journal 123 (3), 416a, 2024 | | 2024 |
