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Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations.
Sampson JM, Cannon DA, Duan J, Epstein JCK, Sergeeva AP, Katsamba PS, Mannepalli SM, Bahna FA, Adihou H, Guéret SM, Gopalakrishnan R, Geschwindner S, Rees DG, Sigurdardottir A, Wilkinson T, Dodd RB, De Maria L, Mobarec JC, Shapiro L, Honig B, Buchanan A, Friesner RA, Wang L. Sampson JM, et al. Among authors: gueret sm. bioRxiv [Preprint]. 2024 Apr 24:2024.04.22.590325. doi: 10.1101/2024.04.22.590325. bioRxiv. 2024. PMID: 38712280 Free PMC article. Preprint.
A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Adihou H, Gopalakrishnan R, Förster T, Guéret SM, Gasper R, Geschwindner S, Carrillo García C, Karatas H, Pobbati AV, Vazquez-Chantada M, Davey P, Wassvik CM, Pang JKS, Soh BS, Hong W, Chiarparin E, Schade D, Plowright AT, Valeur E, Lemurell M, Grossmann TN, Waldmann H. Adihou H, et al. Among authors: gueret sm. Nat Commun. 2020 Oct 27;11(1):5425. doi: 10.1038/s41467-020-19224-8. Nat Commun. 2020. PMID: 33110077 Free PMC article.
Discovery of Covalent Inhibitors Targeting the Transcriptional Enhanced Associate Domain Central Pocket.
Karatas H, Akbarzadeh M, Adihou H, Hahne G, Pobbati AV, Yihui Ng E, Guéret SM, Sievers S, Pahl A, Metz M, Zinken S, Dötsch L, Nowak C, Thavam S, Friese A, Kang C, Hong W, Waldmann H. Karatas H, et al. Among authors: gueret sm. J Med Chem. 2020 Oct 22;63(20):11972-11989. doi: 10.1021/acs.jmedchem.0c01275. Epub 2020 Oct 1. J Med Chem. 2020. PMID: 32907324 Free PMC article.
TEAD-YAP Interaction Inhibitors and MDM2 Binders from DNA-Encoded Indole-Focused Ugi Peptidomimetics.
Kunig VBK, Potowski M, Akbarzadeh M, Klika Škopić M, Dos Santos Smith D, Arendt L, Dormuth I, Adihou H, Andlovic B, Karatas H, Shaabani S, Zarganes-Tzitzikas T, Neochoritis CG, Zhang R, Groves M, Guéret SM, Ottmann C, Rahnenführer J, Fried R, Dömling A, Brunschweiger A. Kunig VBK, et al. Among authors: gueret sm. Angew Chem Int Ed Engl. 2020 Nov 9;59(46):20338-20342. doi: 10.1002/anie.202006280. Epub 2020 Jul 15. Angew Chem Int Ed Engl. 2020. PMID: 32537835 Free PMC article.
Macrocyclic Modalities Combining Peptide Epitopes and Natural Product Fragments.
Guéret SM, Thavam S, Carbajo RJ, Potowski M, Larsson N, Dahl G, Dellsén A, Grossmann TN, Plowright AT, Valeur E, Lemurell M, Waldmann H. Guéret SM, et al. J Am Chem Soc. 2020 Mar 11;142(10):4904-4915. doi: 10.1021/jacs.0c00269. Epub 2020 Mar 2. J Am Chem Soc. 2020. PMID: 32058716 Free PMC article.
Identification of Quinolinols as Activators of TEAD-Dependent Transcription.
Pobbati AV, Mejuch T, Chakraborty S, Karatas H, Bharath SR, Guéret SM, Goy PA, Hahne G, Pahl A, Sievers S, Guccione E, Song H, Waldmann H, Hong W. Pobbati AV, et al. Among authors: gueret sm. ACS Chem Biol. 2019 Dec 20;14(12):2909-2921. doi: 10.1021/acschembio.9b00786. Epub 2019 Dec 2. ACS Chem Biol. 2019. PMID: 31742995 Free article.
22 results