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Exploring the structural origins of cryptic sites on proteins.
Beglov D, Hall DR, Wakefield AE, Luo L, Allen KN, Kozakov D, Whitty A, Vajda S. Beglov D, et al. Among authors: wakefield ae. Proc Natl Acad Sci U S A. 2018 Apr 10;115(15):E3416-E3425. doi: 10.1073/pnas.1711490115. Epub 2018 Mar 26. Proc Natl Acad Sci U S A. 2018. PMID: 29581267 Free PMC article.
Structure-Based Analysis of Cryptic-Site Opening.
Sun Z, Wakefield AE, Kolossvary I, Beglov D, Vajda S. Sun Z, et al. Among authors: wakefield ae. Structure. 2020 Feb 4;28(2):223-235.e2. doi: 10.1016/j.str.2019.11.007. Epub 2019 Dec 3. Structure. 2020. PMID: 31810712 Free PMC article.
Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Zhong M, Lynch A, Muellers SN, Jehle S, Luo L, Hall DR, Iwase R, Carolan JP, Egbert M, Wakefield A, Streu K, Harvey CM, Ortet PC, Kozakov D, Vajda S, Allen KN, Whitty A. Zhong M, et al. Biochemistry. 2020 Feb 4;59(4):563-581. doi: 10.1021/acs.biochem.9b00943. Epub 2020 Jan 2. Biochemistry. 2020. PMID: 31851823 Free PMC article.
Exploring protein hotspots by optimized fragment pharmacophores.
Bajusz D, Wade WS, Satała G, Bojarski AJ, Ilaš J, Ebner J, Grebien F, Papp H, Jakab F, Douangamath A, Fearon D, von Delft F, Schuller M, Ahel I, Wakefield A, Vajda S, Gerencsér J, Pallai P, Keserű GM. Bajusz D, et al. Nat Commun. 2021 May 27;12(1):3201. doi: 10.1038/s41467-021-23443-y. Nat Commun. 2021. PMID: 34045440 Free PMC article.
Mapping the binding sites of challenging drug targets.
Wakefield AE, Kozakov D, Vajda S. Wakefield AE, et al. Curr Opin Struct Biol. 2022 Aug;75:102396. doi: 10.1016/j.sbi.2022.102396. Epub 2022 May 27. Curr Opin Struct Biol. 2022. PMID: 35636004 Free PMC article. Review.
107 results