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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. Among authors: deflorian f. 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.
Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Southall SM, Banerjee J, Brown J, Butkovic K, Cansfield AD, Cansfield JE, Congreve MS, Cseke G, Deflorian F, Hunjadi MP, Hutinec A, Inturi TK, Rupcic R, Saxty G, Watson SP. Southall SM, et al. Among authors: deflorian f. ACS Med Chem Lett. 2022 Oct 19;13(11):1776-1782. doi: 10.1021/acsmedchemlett.2c00400. eCollection 2022 Nov 10. ACS Med Chem Lett. 2022. PMID: 36385934 Free PMC article.
Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Cansfield AD, Ator MA, Banerjee J, Bestwick M, Bortolato A, Brown GA, Brown J, Butkovic K, Cansfield JE, Christopher JA, Congreve M, Cseke G, Deflorian F, Dugan B, Hunjadi MP, Hutinec A, Inturi TK, Landek G, Mason J, O'Brien A, Ott GR, Rupcic R, Saxty G, Southall SM, Zadravec R, Watson SP. Cansfield AD, et al. Among authors: deflorian f. ACS Chem Neurosci. 2022 Mar 16;13(6):751-765. doi: 10.1021/acschemneuro.1c00696. Epub 2022 Mar 4. ACS Chem Neurosci. 2022. PMID: 35245037
Expert-based medication reviews to reduce polypharmacy in older patients in primary care: a northern-Italian cluster-randomised controlled trial.
Mahlknecht A, Wiedermann CJ, Sandri M, Engl A, Valentini M, Vögele A, Schmid S, Deflorian F, Montalbano C, Koper D, Bellmann R, Sönnichsen A, Piccoliori G. Mahlknecht A, et al. Among authors: deflorian f. BMC Geriatr. 2021 Nov 23;21(1):659. doi: 10.1186/s12877-021-02612-0. BMC Geriatr. 2021. PMID: 34814835 Free PMC article. Review.
46 results