Research output per year
Research output per year
Personal profile
Research Interests
The development and application of molecular dynamics and related computational methods to the structure, dynamics and function of proteins, particularly G protein coupled receptors (GPCRs). We have collaborated with a number of experimentalists to understand more fully the molecular details of GPCR activation, including conformational changes, interactions with G proteins and understanding the drug (un)binding pathway. Our main GPCR interests are class A and class B GPCRs, particularly those that interact with RAMPs.
Education/Academic qualification
Computational Chemistry, Doctorate, Quantum chemical studies of intermediates in nitrosamine carcinogenesis, University of St Andrews
4 Dec 1982 → 4 Sept 1985
Award Date: 2 May 1986
Chemistry, Degree, BSc Chemistry (Honours), University of St Andrews
1 Oct 1975 → 30 Jun 1979
Award Date: 30 Jun 1979
External positions
Honorary Professor, University of Essex
2020 → 2023
Keywords
- QD Chemistry
- computational chemistry
- GPCRs
- Molecular Dynamics
- drug design
- Molecular Modelling
- Homology Modelling
- Docking
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Collaborations and top research areas from the last five years
External collaboration on country/territory level for the past five years. Dive into details by clicking on the dots or
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The circularly permuted globin domain of androglobin exhibits atypical heme stabilization and nitric oxide interaction
Reeder, B. J., Deganutti, G., Ukeri, J., Atanasio, S., Svistunenko, D. A., Ronchetti, C., Mobarec, J. C., Welbourn, E., Asaju, J., Vos, M. H., Wilson, M. T. & Reynolds, C. A., 14 May 2024, In: Chemical Science. 15, 18, p. 6738-6751 14 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)9 Downloads (Pure) -
GWAS of random glucose in 476,326 individuals provide insights into diabetes pathophysiology, complications and treatment stratification
Lagou, V., Jiang, L., Ulrich, A., Zudina, L., González, K. S. G., Balkhiyarova, Z., Faggian, A., Maina, J. G., Chen, S., Todorov, P. V., Sharapov, S., David, A., Marullo, L., Mägi, R., Rujan, R-M., Ahlqvist, E., Thorleifsson, G., Gao, Η., Εvangelou, Ε., Benyamin, B., & 78 others, 7 Sept 2023, In: Nature Genetics. 55, 9, p. 1448-1461 14 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile15 Citations (Scopus)26 Downloads (Pure) -
Probing the Interactions of Thiazole Abietane Inhibitors with the Human Serine Hydrolases ABHD16A and ABHD12
Ahonen, T. J., Ng, C. P., Farinha, B., Almeida, B., Victor, B., Reynolds, C., Kalso, E., Yli-Kauhaluoma, J. T., Greaves, J. & Moreira, V. M., 12 Oct 2023, In: ACS Medicinal Chemistry Letters. 14, 10, p. 1404 - 1410 7 p.Research output: Contribution to journal › Letter › peer-review
Open AccessFile1 Citation (Scopus)33 Downloads (Pure) -
Random glucose GWAS in 493,036 individuals provides insights into diabetes pathophysiology, complications and treatment stratification
Meta-Analysis of Glucose and Insulin-related Traits Consortium (MAGIC), 2023, (Submitted) 60 p. (Nature Genetics).Research output: Working paper/Preprint › Preprint
File19 Downloads (Pure) -
A Pathway Model to Understand the Evolution of Spike Protein Binding to ACE2 in SARS-CoV-2 Variants
Pipitò, L., Reynolds, C. A., Mobarec, J. C., Vickery, O. & Deganutti, G., 31 Oct 2022, In: Biomolecules. 12, 11, 12 p., 1607.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)67 Downloads (Pure)