Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics
Segura, Luthary, Santos, Natalia, Flores, Rafael, Sikazwe, Donald, McGibbon, Miles, Blay, Vincent, Cheng, Kwan H
Published in Molecules (Basel, Switzerland) (01.06.2024)
Published in Molecules (Basel, Switzerland) (01.06.2024)
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Predictors of COVID-19 epidemics in countries of the World Health Organization African Region
Zhang, Feifei, Karamagi, Humphrey, Nsenga, Ngoy, Nanyunja, Miriam, Karinja, Miriam, Amanfo, Seth, Chase-Topping, Margo, Calder-Gerver, Giles, McGibbon, Miles, Huber, Alexandra, Wagner-Gamble, Tara, Guo, Chuan-Guo, Haynes, Samuel, Morrison, Alistair, Ferguson, Miranda, Awandare, Gordon A, Mutapi, Francisca, Yoti, Zabulon, Cabore, Joseph, Moeti, Matshidiso R, Woolhouse, Mark E J
Published in Nature medicine (01.11.2021)
Published in Nature medicine (01.11.2021)
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Abstract 2360 Identifying Neuroprotective Small Molecules Targeting Membrane-Bound Tau Oligomers with Physics and Machine Learning-based Models
Segura, Luthary, Santos, Natalia, Cheng, Kwan, Flores, Rafael, Sikazwe, Donald, McGibbon, Miles, Blay, Vincent
Published in The Journal of biological chemistry (01.03.2024)
Published in The Journal of biological chemistry (01.03.2024)
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Targeting anti-aggregation and anti-oxidation of amyloid deposits for therapeutic intervention of Alzheimer’s using machine learning-enhanced molecular docking
Segura, Luthary Y., Santos, Natalia, Cheng, Kwan Hon K., Sikazwe, Donald, Flores, Rafael, Rogers, Vincent Blay, Mcgibbon, Miles
Published in Biophysical journal (08.02.2024)
Published in Biophysical journal (08.02.2024)
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From intuition to AI: evolution of small molecule representations in drug discovery
McGibbon, Miles, Shave, Steven, Dong, Jie, Gao, Yumiao, Houston, Douglas R, Xie, Jiancong, Yang, Yuedong, Schwaller, Philippe, Blay, Vincent
Published in Briefings in bioinformatics (22.11.2023)
Published in Briefings in bioinformatics (22.11.2023)
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