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Personal profile

Research Interests

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.



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,

Novel Methods.


External positions

Aston University

1 Jan 20147 Jan 2018

University of Bristol

1 Jan 201012 Dec 2013

Monash University, AUS

1 Jan 200712 Dec 2009

Fingerprint Dive into the research topics where John Simms is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

G-Protein-Coupled Receptors Medicine & Life Sciences
Calcitonin Receptor-Like Protein Medicine & Life Sciences
Receptor Activity-Modifying Proteins Medicine & Life Sciences
Calcitonin Gene-Related Peptide Receptors Medicine & Life Sciences
Receptor Activity-Modifying Protein 1 Medicine & Life Sciences
Ligands Medicine & Life Sciences
Peptides Medicine & Life Sciences
Mutagenesis Medicine & Life Sciences

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2002 2018

  • 1041 Citations
  • 20 h-Index
  • 34 Article
  • 5 Chapter
  • 3 Review article
2 Citations (Scopus)

Functional characterisation of G protein-coupled receptors

Uddin, R., Simms, J. & Poyner, D., 1 Sep 2018, In : Methods. 147, p. 213-220 8 p.

Research output: Contribution to journalArticle

G-Protein-Coupled Receptors
Fluorescence Resonance Energy Transfer
GTP-Binding Proteins
Chemical activation
1 Citation (Scopus)
5 Downloads (Pure)

hCALCRL mutation causes autosomal recessive nonimmune hydrops fetalis with lymphatic dysplasia

Mackie, D. I., Al Mutairi, F., Davis, R. B., Kechele, D. O., Nielsen, N. R., Snyder, J. C., Caron, M. G., Kliman, H. J., Berg, J. S., Simms, J., Poyner, D. R. & Caron, K. M., 3 Sep 2018, In : Journal of Experimental Medicine. 215, 9, p. 2339-2353 15 p.

Research output: Contribution to journalArticle

Open Access
Hydrops Fetalis
Receptor Activity-Modifying Proteins
Calcitonin Receptor-Like Protein
4 Citations (Scopus)
21 Downloads (Pure)

Photoaffinity cross-linking and unnatural amino acid mutagenesis reveal insights into calcitonin gene-related peptide binding to the calcitonin receptor-like receptor/receptor activity-modifying protein 1 (CLR/RAMP1) complex

Simms, J., Uddin, R., Sakmar, T. P., Gingell, J. J., Garelja, M. L., Hay, D. L., Brimble, M. A., Harris, P. W. R., Reynolds, C. A. & Poyner, D. R., 14 Aug 2018, In : Biochemistry. 57, 32, p. 4915-4922 8 p.

Research output: Contribution to journalArticle

Open Access
Receptor Activity-Modifying Protein 1
Calcitonin Receptor-Like Protein
Calcitonin Gene-Related Peptide
Amino Acids

The Structure of the CGRP and Related Receptors

Simms, J., Routledge, S., Uddin, R. & Poyner, D., 25 May 2018, Handbook of Experimental Pharmacology. Springer Verlag, Vol. (in press). p. (in press) (Handbook of experimental pharmacology).

Research output: Chapter in Book/Report/Conference proceedingChapter

Calcitonin Receptor-Like Protein
Calcitonin Gene-Related Peptide Receptors
Receptor Activity-Modifying Protein 1
Calcitonin Receptors
G-Protein-Coupled Receptors
2 Citations (Scopus)
8 Downloads (Pure)

Improving virtual screening of G protein-coupled receptors via ligand-directed modeling

Coudrat, T., Simms, J., Christopoulos, A., Wootten, D. & Sexton, P. M., 13 Nov 2017, In : PLoS Computational Biology. 13, 11, 40 p., e1005819.

Research output: Contribution to journalArticle

Open Access
Virtual Screening
G Protein
G-Protein-Coupled Receptors

Activities 2018 2018

  • 1 Invited talk

Molecular modelling of bilayer and membranes

John Simms (Speaker)
31 Jul 2018

Activity: Talk or presentationInvited talk