| Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor YL Liang, M Khoshouei, G Deganutti, A Glukhova, C Koole, TS Peat, ... Nature 561 (7724), 492-497, 2018 | 229 | 2018 |
| Activation of the GLP-1 receptor by a non-peptidic agonist P Zhao, YL Liang, MJ Belousoff, G Deganutti, MM Fletcher, FS Willard, ... Nature 577 (7790), 432-436, 2020 | 131 | 2020 |
| Deciphering the complexity of ligand–protein recognition pathways using supervised molecular dynamics (SuMD) simulations A Cuzzolin, M Sturlese, G Deganutti, V Salmaso, D Sabbadin, A Ciancetta, ... Journal of chemical information and modeling 56 (4), 687-705, 2016 | 84 | 2016 |
| Structure and Dynamics of Adrenomedullin Receptors AM1 and AM2 Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity … YL Liang, MJ Belousoff, MM Fletcher, X Zhang, M Khoshouei, G Deganutti, ... ACS pharmacology & translational science 3 (2), 263-284, 2020 | 72 | 2020 |
| Molecular signature for receptor engagement in the metabolic peptide hormone amylin RL Bower, L Yule, TA Rees, G Deganutti, ER Hendrikse, PWR Harris, ... ACS Pharmacology & Translational Science 1 (1), 32-49, 2018 | 56 | 2018 |
| Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein G Deganutti, F Prischi, CA Reynolds Journal of computer-aided molecular design 35 (2), 195-207, 2021 | 54 | 2021 |
| Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive … G Deganutti, A Cuzzolin, A Ciancetta, S Moro Bioorganic & Medicinal Chemistry 23 (14), 4065-4071, 2015 | 52 | 2015 |
| Structure and dynamics of the active Gs-coupled human secretin receptor M Dong, G Deganutti, SJ Piper, YL Liang, M Khoshouei, MJ Belousoff, ... Nature communications 11 (1), 4137, 2020 | 49 | 2020 |
| Exploring the recognition pathway at the human A 2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations D Sabbadin, A Ciancetta, G Deganutti, A Cuzzolin, S Moro Medchemcomm 6 (6), 1081-1085, 2015 | 42 | 2015 |
| Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation G Deganutti, YL Liang, X Zhang, M Khoshouei, L Clydesdale, ... Nature Communications 13 (1), 92, 2022 | 38 | 2022 |
| A supervised molecular dynamics approach to unbiased ligand–protein unbinding G Deganutti, S Moro, CA Reynolds Journal of Chemical Information and Modeling 60 (3), 1804-1817, 2020 | 30 | 2020 |
| Structural and functional diversity among agonist-bound states of the GLP-1 receptor BP Cary, G Deganutti, P Zhao, TT Truong, SJ Piper, X Liu, MJ Belousoff, ... Nature chemical biology 18 (3), 256-263, 2022 | 28 | 2022 |
| AquaMMapS: an alternative tool to monitor the role of water molecules during protein–ligand association A Cuzzolin, G Deganutti, V Salmaso, M Sturlese, S Moro ChemMedChem 13 (6), 522-531, 2018 | 28 | 2018 |
| Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies G Deganutti, S Moro Future Medicinal Chemistry 9 (5), 507-523, 2017 | 28 | 2017 |
| Selective activation of Gαob by an adenosine A1 receptor agonist elicits analgesia without cardiorespiratory depression MJ Wall, E Hill, R Huckstepp, K Barkan, G Deganutti, M Leuenberger, ... Nature communications 13 (1), 4150, 2022 | 27* | 2022 |
| A2A and A2B adenosine receptors: The extracellular loop 2 determines high (A2A) or low affinity (A2B) for adenosine E De Filippo, S Hinz, V Pellizzari, G Deganutti, A El-Tayeb, G Navarro, ... Biochemical Pharmacology 172, 113718, 2020 | 27 | 2020 |
| Extracellular loops 2 and 3 of the calcitonin receptor selectively modify agonist binding and efficacy E Dal Maso, Y Zhu, V Pham, CA Reynolds, G Deganutti, CA Hick, D Yang, ... Biochemical Pharmacology 150, 214-244, 2018 | 27 | 2018 |
| Comparison of the Human A2A Adenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics Simulations G Deganutti, A Welihinda, S Moro ChemMedChem 12 (16), 1319-1326, 2017 | 27 | 2017 |
| Supporting the identification of novel fragment-based positive allosteric modulators using a supervised molecular dynamics approach: a retrospective analysis considering the … G Deganutti, S Moro Molecules 22 (5), 818, 2017 | 21 | 2017 |
| Impact of protein–ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics G Deganutti, A Zhukov, F Deflorian, S Federico, G Spalluto, RM Cooke, ... In Silico Pharmacology 5, 1-13, 2017 | 20 | 2017 |
Christopher ReynoldsProfessor, Coventry UniversityVerified email at coventry.ac.uk
