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Discovery of potent inhibitors of α-synuclein aggregation using structure-based iterative learning.
Horne RI, Andrzejewska EA, Alam P, Brotzakis ZF, Srivastava A, Aubert A, Nowinska M, Gregory RC, Staats R, Possenti A, Chia S, Sormanni P, Ghetti B, Caughey B, Knowles TPJ, Vendruscolo M. Horne RI, et al. Among authors: brotzakis zf. Nat Chem Biol. 2024 May;20(5):634-645. doi: 10.1038/s41589-024-01580-x. Epub 2024 Apr 17. Nat Chem Biol. 2024. PMID: 38632492 Free PMC article.
Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α-Synuclein Secondary Nucleation.
Horne RI, Murtada MH, Huo D, Brotzakis ZF, Gregory RC, Possenti A, Chia S, Vendruscolo M. Horne RI, et al. Among authors: brotzakis zf. J Chem Theory Comput. 2023 Jul 25;19(14):4701-4710. doi: 10.1021/acs.jctc.2c01303. Epub 2023 Mar 20. J Chem Theory Comput. 2023. PMID: 36939645 Free PMC article.
Amyloidogenic proteins in the SARS-CoV and SARS-CoV-2 proteomes.
Bhardwaj T, Gadhave K, Kapuganti SK, Kumar P, Brotzakis ZF, Saumya KU, Nayak N, Kumar A, Joshi R, Mukherjee B, Bhardwaj A, Thakur KG, Garg N, Vendruscolo M, Giri R. Bhardwaj T, et al. Among authors: brotzakis zf. Nat Commun. 2023 Feb 20;14(1):945. doi: 10.1038/s41467-023-36234-4. Nat Commun. 2023. PMID: 36806058 Free PMC article.
Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Mikolajek H, Weckener M, Brotzakis ZF, Huo J, Dalietou EV, Le Bas A, Sormanni P, Harrison PJ, Ward PN, Truong S, Moynie L, Clare DK, Dumoux M, Dormon J, Norman C, Hussain N, Vogirala V, Owens RJ, Vendruscolo M, Naismith JH. Mikolajek H, et al. Among authors: brotzakis zf. Proc Natl Acad Sci U S A. 2022 Aug 2;119(31):e2205412119. doi: 10.1073/pnas.2205412119. Epub 2022 Jul 15. Proc Natl Acad Sci U S A. 2022. PMID: 35858383 Free PMC article.
24 results