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Free energy landscape of the PI3Kα C-terminal activation.
Kotzampasi DM, Papadourakis M, Burke JE, Cournia Z. Kotzampasi DM, et al. Among authors: papadourakis m. Comput Struct Biotechnol J. 2024 Jul 8;23:3118-3131. doi: 10.1016/j.csbj.2024.07.010. eCollection 2024 Dec. Comput Struct Biotechnol J. 2024. PMID: 39229338 Free PMC article.
Alchemical Free Energy Calculations on Membrane-Associated Proteins.
Papadourakis M, Sinenka H, Matricon P, Hénin J, Brannigan G, Pérez-Benito L, Pande V, van Vlijmen H, de Graaf C, Deflorian F, Tresadern G, Cecchini M, Cournia Z. Papadourakis M, et al. J Chem Theory Comput. 2023 Nov 14;19(21):7437-7458. doi: 10.1021/acs.jctc.3c00365. Epub 2023 Oct 30. J Chem Theory Comput. 2023. PMID: 37902715 Free PMC article. Review.
The effect of S427F mutation on RXRα activity depends on its dimeric partner.
Galdadas I, Bonis V, Vgenopoulou P, Papadourakis M, Kakoulidis P, Stergiou G, Cournia Z, Klinakis A. Galdadas I, et al. Among authors: papadourakis m. Chem Sci. 2021 Oct 8;12(44):14700-14710. doi: 10.1039/d1sc04465f. eCollection 2021 Nov 17. Chem Sci. 2021. PMID: 34820085 Free PMC article.
12 results