Research output per year
Research output per year
Dr
Understanding how the binding of a single ligand influences the behaviour of a membrane protein target is a fundamental concept of both molecular pharmacology and drug discovery. My research examines this question in detail using a multitude of approaches from ligand docking and Molecular Dynamics simulations in computational biology for drug discovery, through to using microfluidics and building ‘organs on a chip’ to define the actions of drugs on cells in a realistic setting. This multifaceted approach is well suited to study this rich and complex topic and will aid the future development of new drugs and novel treatments for disease.
Keywords
Computational Biology
Drug Discovery/Drug Screening
Molecular Dynamics/Monte Carlo Simulations
Molecular Pharmacology
G Protein-Coupled Receptors
Molecular Biology
3D cell culture
Organ on a chip
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Chapter in Book/Published conference output › Conference publication
Research output: Unpublished contribution to conference › Other › peer-review
Research output: Unpublished contribution to conference › Poster
Rothnie, A. (Creator), Goddard, A. (Creator), Simms, J. (Creator) & Ronco Campana, A. (Creator), Aston Data Explorer, 24 Feb 2026
DOI: 10.17036/researchdata.aston.ac.uk.00000668
Dataset
Hawkins, O. P. (Creator), Jahromi, C. P. T. (Creator), Gulamhussein, A. (Creator), Nestorow, S. A. (Creator), Rothnie, A. (Creator), Bill, R. (Creator), Goddard, A. (Creator), Simms, J. (Creator), Bahra, T. (Creator), Shelton, C. (Creator), Owusu-mensah, Q. K. (Creator), Mohiddin, N. (Creator), O'rourke, H. (Creator), Ajmal, M. (Creator), Byrnes, K. (Creator), Khan, M. (Creator), Nahar, N. N. (Creator), Lim, A. (Creator), Harris, C. (Creator), Healy, H. (Creator), Hasan, S. W. (Creator), Ahmed, A. (Creator), Jones, L. (Creator), Vaitsopoulou, A. (Creator), Akram, A. (Creator), Williams, C. M. (Creator), Binding, J. (Creator), Thandi, R. K. (Creator), Joby, A. (Creator), Guest, A. (Creator), Mohammed, Z. (Creator), Rasool, F. (Creator), Cavanagh, L. (Creator), Kang, S. (Creator), Asparuhov, B. (Creator), Jestin, A. (Creator) & Dafforn, T. R. (Creator), Aston Data Explorer, 29 Jun 2021
DOI: 10.17036/researchdata.aston.ac.uk.00000507
Dataset
Poyner, D. (Creator) & Simms, J. (Creator), Aston Data Explorer, 26 Jul 2018
DOI: 10.17036/researchdata.aston.ac.uk.00000369, https://rupress.org/jem/article/215/9/2339/124276/hCALCRL-mutation-causes-autosomal-recessive
Dataset
Poyner, D. (Creator), Simms, J. (Creator), Hay, D. L. (Creator) & Garelja, M. L. (Creator), Aston Data Explorer, 24 Jul 2018
DOI: 10.17036/researchdata.aston.ac.uk.00000368, https://pubs.acs.org/doi/10.1021/acs.biochem.8b00502
Dataset
Poyner, D. (Creator) & Simms, J. W. (Creator), Aston Data Explorer, 21 Jul 2015
DOI: 10.17036/3d96d65d-5c12-42d3-ac48-63d91174b32a, https://www.nature.com/articles/celldisc201612
Dataset