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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: geschwindner s. Nat Commun. 2020 Oct 27;11(1):5425. doi: 10.1038/s41467-020-19224-8. Nat Commun. 2020. PMID: 33110077 Free PMC article.
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: geschwindner s. J Mol Biol. 2024 Aug 15;436(16):168640. doi: 10.1016/j.jmb.2024.168640. Epub 2024 Jun 4. J Mol Biol. 2024. PMID: 38844044
Structural insight into allosteric modulation of protease-activated receptor 2.
Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Doré AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundström L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N. Cheng RKY, et al. Among authors: geschwindner s. Nature. 2017 May 4;545(7652):112-115. doi: 10.1038/nature22309. Epub 2017 Apr 26. Nature. 2017. PMID: 28445455
Protease-activated receptor-2 ligands reveal orthosteric and allosteric mechanisms of receptor inhibition.
Kennedy AJ, Sundström L, Geschwindner S, Poon EKY, Jiang Y, Chen R, Cooke R, Johnstone S, Madin A, Lim J, Liu Q, Lohman RJ, Nordqvist A, Fridén-Saxin M, Yang W, Brown DG, Fairlie DP, Dekker N. Kennedy AJ, et al. Among authors: geschwindner s. Commun Biol. 2020 Dec 17;3(1):782. doi: 10.1038/s42003-020-01504-0. Commun Biol. 2020. PMID: 33335291 Free PMC article.
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: geschwindner s. bioRxiv [Preprint]. 2024 Apr 24:2024.04.22.590325. doi: 10.1101/2024.04.22.590325. bioRxiv. 2024. Update in: J Mol Biol. 2024 Aug 15;436(16):168640. doi: 10.1016/j.jmb.2024.168640 PMID: 38712280 Free PMC article. Updated. Preprint.
Mining Natural Products for Macrocycles to Drug Difficult Targets.
Begnini F, Poongavanam V, Over B, Castaldo M, Geschwindner S, Johansson P, Tyagi M, Tyrchan C, Wissler L, Sjö P, Schiesser S, Kihlberg J. Begnini F, et al. Among authors: geschwindner s. J Med Chem. 2021 Jan 28;64(2):1054-1072. doi: 10.1021/acs.jmedchem.0c01569. Epub 2020 Dec 18. J Med Chem. 2021. PMID: 33337880 Free PMC article.
Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J. Begnini F, et al. Among authors: geschwindner s. J Med Chem. 2022 Feb 24;65(4):3473-3517. doi: 10.1021/acs.jmedchem.1c01975. Epub 2022 Feb 2. J Med Chem. 2022. PMID: 35108001 Free PMC article.
48 results