1993 …2019
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Personal profile

Research interests

We combine x-ray crystallography and biophysics with molecular simulation to study the structure, folding and dynamics of proteins, with a particular focus on the design and engineering of proteins for medical and biotechnological application. Our team is a unique and exciting mix of experimentalists and computational biologists using modeling and simulation to make predictions that can be tested in the lab.

Bioinformatics databases we have developed:








Department pageAll publications on PubMed | Lab Facebook page | ORCID | Google Scholar


I completed my PhD in 1994 in the laboratory of Prof Sir Alan Fersht at the University of Cambridge, on the structure determination of protein-DNA and protein-protein complexes. As a postdoc then staff scientist at the MRC Centre Cambridge, I made contributions to the understanding of protein stability, molecular recognition and the action of molecular chaperones. I relocated to Monash University, Australia in 2003 and am currently a group leader in the Department of Biochemistry and Molecular Biology

 A longer bio is here.



  • Protein design
  • Protein Biophysics
  • Protein folding
  • Protein engineering
  • Molecular Dynamics
  • Directed evolution

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Projects 2004 2019

Research Output 1993 2018

Laboratory evolution of protein conformational dynamics

Campbell, E. C., Correy, G. J., Mabbitt, P. D., Buckle, A. M., Tokiriki, N. & Jackson, C. J. 1 Jun 2018 In : Current Opinion in Structural Biology. 50, p. 49-57 9 p.

Research output: Contribution to journalReview Article

Previously hidden dynamics at the TCR-peptide-MHC interface revealed

Fodor, J., Riley, B. T., Borg, N. A. & Buckle, A. M. 15 Jun 2018 In : Journal of Immunology. 200, 12, p. 4134-4145 12 p.

Research output: Contribution to journalArticle

Open Access

Substrate Locking Promotes Dimer-Dimer Docking of an Enzyme Antibiotic Target

Atkinson, S. C., Dogovski, C., Wood, K., Griffin, M. D. W., Gorman, M. A., Hor, L., Reboul, C. F., Buckle, A. M., Wuttke, J., Parker, M. W., Dobson, R. C. J. & Perugini, M. A. 3 Jul 2018 In : Structure. 26, 7, p. 948-959 12 p.

Research output: Contribution to journalArticle

Generation of AMBER force field parameters for zinc centres of M1 and M17 family aminopeptidases

Yang, W., Riley, B. T., Lei, X., Porebski, B. T., Kass, I., Buckle, A. M. & McGowan, S. 25 Aug 2017 (Accepted/In press) In : Journal of Biomolecular Structure and Dynamics. 10 p.

Research output: Contribution to journalArticle

Press / Media

The inaugural Monash Biomedicine Discovery Institute (BDI) Industry Showcase event

Ashley Maurice Buckle & Peter Geoffrey Chandler


1 item of media coverage

Press/Media: Research

'Jekyll and Hyde' protein linked to type 1 diabetes

Ashley Maurice Buckle


1 item of media coverage

Press/Media: Research

A reliable TARDIS for precious research data

Ashley Maurice Buckle


1 item of media coverage

Press/Media: Research

Sewer to saviour, PlyC is back

Ashley Maurice Buckle & Sheena McGowan


1 item of media coverage

Press/Media: Research