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Items where Author is "Deganutti, Giuseppe"

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Number of items: 9.

Deganutti, Giuseppe and Prischi, Filippo and Reynolds, Christopher A (2021) Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein. Journal of Computer-Aided Molecular Design, 35 (2). pp. 195-207. DOI https://doi.org/10.1007/s10822-020-00356-4

Dong, Maoqing and Deganutti, Giuseppe and Piper, Sarah J and Liang, Yi-Lynn and Khoshouei, Maryam and Belousoff, Matthew J and Harikumar, Kaleeckal G and Reynolds, Christopher A and Glukhova, Alisa and Furness, Sebastian GB and Christopoulos, Arthur and Danev, Radostin and Wootten, Denise and Sexton, Patrick M and Miller, Laurence J (2020) Structure and dynamics of the active Gs-coupled human secretin receptor. Nature Communications, 11 (1). 4137-. DOI https://doi.org/10.1038/s41467-020-17791-4

Bolcato, Giovanni and Bissaro, Maicol and Deganutti, Giuseppe and Sturlese, Mattia and Moro, Stefano (2020) New insights into key determinants for adenosine 1 receptor antagonists selectivity using supervised molecular dynamics simulations. Biomolecules, 10 (5). p. 732. DOI https://doi.org/10.3390/biom10050732

Deganutti, Giuseppe and Moro, Stefano and Reynolds, Christopher A (2020) A Supervised Molecular Dynamics Approach to Unbiased Ligand–Protein Unbinding. Journal of Chemical Information and Modeling, 60 (3). pp. 1804-1817. DOI https://doi.org/10.1021/acs.jcim.9b01094

Zhao, Peishen and Liang, Yi-Lynn and Belousoff, Matthew J and Deganutti, Giuseppe and Fletcher, Madeleine M and Willard, Francis S and Bell, Michael G and Christe, Michael E and Sloop, Kyle W and Inoue, Asuka and Truong, Tin T and Clydesdale, Lachlan and Furness, Sebastian GB and Christopoulos, Arthur and Wang, Ming-Wei and Miller, Laurence J and Reynolds, Christopher A and Danev, Radostin and Sexton, Patrick M and Wootten, Denise (2020) Activation of the GLP-1 receptor by a non-peptidic agonist. Nature, 577 (7790). pp. 432-436. DOI https://doi.org/10.1038/s41586-019-1902-z

Pham, Vi and Zhu, Yue and Dal Maso, Emma and Reynolds, Christopher A and Deganutti, Giuseppe and Atanasio, Silvia and Hick, Caroline A and Yang, Dehua and Christopoulos, Arthur and Hay, Debbie L and Furness, Sebastian GB and Wang, Ming-Wei and Wootten, Denise and Sexton, Patrick M (2019) Deconvoluting the Molecular Control of Binding and Signaling at the Amylin 3 Receptor: RAMP3 Alters Signal Propagation through Extracellular Loops of the Calcitonin Receptor. ACS Pharmacology and Translational Science, 2 (3). pp. 183-197. DOI https://doi.org/10.1021/acsptsci.9b00010

Deganutti, Giuseppe and Moro, Stefano and Reynolds, Christopher A (2019) Peeking at G-protein-coupled receptors through the molecular dynamics keyhole. Future Medicinal Chemistry, 11 (6). pp. 599-615. DOI https://doi.org/10.4155/fmc-2018-0393

Liang, Yi-Lynn and Khoshouei, Maryam and Deganutti, Giuseppe and Glukhova, Alisa and Koole, Cassandra and Peat, Thomas S and Radjainia, Mazdak and Plitzko, Jürgen M and Baumeister, Wolfgang and Miller, Laurence J and Hay, Deborah L and Christopoulos, Arthur and Reynolds, Christopher A and Wootten, Denise and Sexton, Patrick M (2018) Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor. Nature, 561 (7724). pp. 492-497. DOI https://doi.org/10.1038/s41586-018-0535-y

Dal Maso, Emma and Zhu, Yue and Pham, Vi and Reynolds, Christopher A and Deganutti, Giuseppe and Hick, Caroline A and Yang, Dehua and Christopoulos, Arthur and Hay, Debbie L and Wang, Ming-Wei and Sexton, Patrick M and Furness, Sebastian GB and Wootten, Denise (2018) Extracellular loops 2 and 3 of the calcitonin receptor selectively modify agonist binding and efficacy. Biochemical Pharmacology, 150. pp. 214-244. DOI https://doi.org/10.1016/j.bcp.2018.02.005

This list was generated on Fri Mar 29 01:31:32 2024 GMT.