Structural and functional determination of peptide versus small molecule ligand binding at the apelin receptor.

Autor: Williams TL; Experimental Medicine & Immunotherapeutics, University of Cambridge, Cambridge, UK., Verdon G; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Kuc RE; Experimental Medicine & Immunotherapeutics, University of Cambridge, Cambridge, UK., Currinn H; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Bender B; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Solcan N; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Schlenker O; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Macrae RGC; Experimental Medicine & Immunotherapeutics, University of Cambridge, Cambridge, UK.; Wellcome-MRC Cambridge Stem Cell Institute, Jeffrey Cheah Biomedical Centre, University of Cambridge, Cambridge, UK., Brown J; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Schütz M; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Zhukov A; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Sinha S; Wellcome-MRC Cambridge Stem Cell Institute, Jeffrey Cheah Biomedical Centre, University of Cambridge, Cambridge, UK., de Graaf C; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK., Gräf S; NIHR BioResource for Translational Research - Rare Diseases, Cambridge Biomedical Campus, Cambridge, UK.; Department of Haematology, NHS Blood and Transplant, Long Road, University of Cambridge, Cambridge, UK.; Department of Medicine, University of Cambridge, Victor Phillip Dahdaleh Heart & Lung Research Institute, Cambridge, UK., Maguire JJ; Experimental Medicine & Immunotherapeutics, University of Cambridge, Cambridge, UK., Brown AJH; Nxera Pharma UK Limited (Sosei Heptares), Steinmetz Building, Granta Park, Cambridge, UK. Alastair.Brown@Nxera.life., Davenport AP; Experimental Medicine & Immunotherapeutics, University of Cambridge, Cambridge, UK. apd10@medschl.cam.ac.uk.

Publikováno v: Nature communications [Nat Commun] 2024 Dec 27; Vol. 15 (1), pp. 10714. Date of Electronic Publication: 2024 Dec 27.

Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.

Autor: Peter S; Computational Chemistry, Nxera Pharma U.K., Steinmetz Building, Granta Park, Cambridge CB21 6DG, United Kingdom.; Department of Biomolecular Sciences, University of Urbino Carlo Bo, Piazza Rinascimento 6, Urbino 61029, Italy., Siragusa L; Kinetic Business Centre, Molecular Discovery Ltd., Theobald Street, Elstree, Borehamwood, Hertfordshire WD6 4PJ, United Kingdom.; Molecular Horizon srl, via Montelino 30, Bettona, PG 06084, Italy., Thomas M; Computational Chemistry, Nxera Pharma U.K., Steinmetz Building, Granta Park, Cambridge CB21 6DG, United Kingdom.; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom., Palomba T; Kinetic Business Centre, Molecular Discovery Ltd., Theobald Street, Elstree, Borehamwood, Hertfordshire WD6 4PJ, United Kingdom., Cross S; Kinetic Business Centre, Molecular Discovery Ltd., Theobald Street, Elstree, Borehamwood, Hertfordshire WD6 4PJ, United Kingdom., O'Boyle NM; Computational Chemistry, Nxera Pharma U.K., Steinmetz Building, Granta Park, Cambridge CB21 6DG, United Kingdom., Bajusz D; Medicinal Chemistry Research Group and Drug Innovation Centre, HUN-REN Research Centre for Natural Sciences, Magyar tudósok krt. 2, Budapest 1117, Hungary., Ferenczy GG; Medicinal Chemistry Research Group and Drug Innovation Centre, HUN-REN Research Centre for Natural Sciences, Magyar tudósok krt. 2, Budapest 1117, Hungary., Keserű GM; Medicinal Chemistry Research Group and Drug Innovation Centre, HUN-REN Research Centre for Natural Sciences, Magyar tudósok krt. 2, Budapest 1117, Hungary., Bottegoni G; Department of Biomolecular Sciences, University of Urbino Carlo Bo, Piazza Rinascimento 6, Urbino 61029, Italy.; Institute of Clinical Sciences, University of Birmingham, Edgbaston, Birmingham B15 2TT, United Kingdom., Bender B; Computational Chemistry, Nxera Pharma U.K., Steinmetz Building, Granta Park, Cambridge CB21 6DG, United Kingdom., Chen I; Computational Chemistry, Nxera Pharma U.K., Steinmetz Building, Granta Park, Cambridge CB21 6DG, United Kingdom., De Graaf C; Computational Chemistry, Nxera Pharma U.K., Steinmetz Building, Granta Park, Cambridge CB21 6DG, United Kingdom.

Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2024 Nov 11; Vol. 64 (21), pp. 8176-8192. Date of Electronic Publication: 2024 Oct 23.

Food preferences and intake in a population of Dutch individuals with self-reported smell loss: An online survey

Autor: Postma, E.M., De Graaf, C., Boesveldt, S.

Publikováno v: In Food Quality and Preference January 2020 79

Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists

Autor: Adlere, I., Sun, S., Zarca, A., Roumen, L., Gozelle, M., Viciano, C. Perpiñá, Caspar, B., Arimont, M., Bebelman, J.P., Briddon, S.J., Hoffmann, C., Hill, S.J., Smit, M.J., Vischer, H.F., Wijtmans, M., de Graaf, C., de Esch, I.J.P., Leurs, R.

Publikováno v: In European Journal of Medicinal Chemistry 15 January 2019 162:631-649

Renormalization of the quasiparticle hopping integrals by spin interactions in layered copper oxides

Autor: Hozoi, L., Nishimoto, S., de Graaf, C.

Publikováno v: Phys. Rev. B 75, 174505 (2007)

Holes doped within the square CuO2 network specific to the cuprate superconducting materials have oxygen 2p character. We investigate the basic properties of such oxygen holes by wavefunction-based quantum chemical calculations on large embedded clus

Externí odkaz: http://arxiv.org/abs/cond-mat/0611720