Professor Megan O'Mara
Professor

Megan O'Mara

Email: 

Background

Megan O’Mara is a Professor and Group Leader at the Australian Institute for Bioengineering and Nanotechnology (AIBN), UQ. Her group uses multiscale modelling techniques to understand how changes in the biochemical environment of the cell membranes alters membrane properties and modulates the function of membrane proteins. She has research interests in multidrug resistance, computational drug design and delivery, biopolymers, and personalized medicine. Megan completed her PhD in biophysics at the Australian National University in 2005 before moving to the University of Calgary, Canada, to take up a Canadian Institutes of Health Research Postdoctoral Fellowship. In 2009, she returned to Australia to join University of Queensland’s School of Chemistry and Molecular Biosciences as a UQ Postdoctoral Fellow, before commencing an ARC DECRA in 2012 where she continued her computational work on membrane protein dynamics. In 2015, Megan joined the Research School of Chemistry, Australian National University in 2015 as Rita Cornforth Fellow and Senior Lecturer. In 2019 she was promoted to Associate Professor and was Associate Director (Education) of the Research School of Chemistry ANU in 2019-2021. In April 2022 she relocated to AIBN.

Availability

Professor Megan O'Mara is:
Available for supervision
Media expert

Fields of research

Biological Sciences Biological physics Biomedical and Clinical Sciences Biomolecular modelling and design Cell neurochemistry Characterisation of biological macromolecules Chemical Sciences Macromolecular and materials chemistry Medicinal and biomolecular chemistry Molecular medicine Physical Sciences Proteins and peptides Receptors and membrane biology Structural biology (incl. macromolecular modelling) Zoology

Qualifications

  • Bachelor, University of Canberra
  • Bachelor of Physical Sciences, Australian National University
  • Doctor of Philosophy of Physical Sciences, Australian National University
  • Associate Fellow, Australian National University, Australian National University

Research interests

  • computational drug design

    computational drug design, structure based drug design, structure activity relationships, computational fragment based drug design

  • membrane biophysics

    computational cell membrane biophysics, computational lipidomics, cell membrane properties in health, disease and senescence

  • multudrug resistance

    antimicrobial resistance, cancer chemotherapy resistance

  • polymer simulations

    biopolymers, self assembly, polymer properties

  • lipid delivery systems

    targeted lipid delivery systems, computational analysis, lipid formulations, LNP loading, computational simulations

  • computational structural biology

    membrane protein structure-function, computational biology, protein structure prediction

Research impacts

My research uses computational techniques and simulations to understand how the chemistry of biological and bioinspired systems influence their physical properties. My goal is to understand how biomolecules self-assemble and self-regulate in living cells. My work allows the rational design of new pharmaceuticals, drug and vaccine delivery systems and biocompatable materials, as well as understanding fundamental problems such as antibiotic resistance. My students gain skills in data science, computational chemistry, computational biology, high performance computing, rational drug design and research data management that are directly transferable to industry, government and policy development, as well as research. I collaborate broadly across UQ, Australia and internationally with researchers and industry.

Search Professor Megan O'Mara’s works on UQ eSpace

123 works between 2003 and 2024
All (123) Journal Article (100) Book Chapter (4) Conference Publication (19)

41 - 60 of 123 works

2020

Journal Article

Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter

Rawling, Tristan, MacDermott-Opeskin, Hugo, Roseblade, Ariane, Pazderka, Curtis, Clarke, Callum, Bourget, Kirsi, Wu, Xin, Lewis, William, Noble, Benjamin, Gale, Philip A., O'Mara, Megan L., Cranfield, Charles and Murray, Michael (2020). Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter. Chemical Science, 11 (47), 12677-12685. doi: 10.1039/d0sc02777d

Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter

2020

Journal Article

Understanding the link between lipid diversity and the biophysical properties of the neuronal plasma membrane

Wilson, Katie A., MacDermott-Opeskin, Hugo I., Riley, Eden, Lin, Yiechang and O’Mara, Megan L. (2020). Understanding the link between lipid diversity and the biophysical properties of the neuronal plasma membrane. Biochemistry, 59 (33), 3010-3018. doi: 10.1021/acs.biochem.0c00524

Understanding the link between lipid diversity and the biophysical properties of the neuronal plasma membrane

2020

Journal Article

Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane

Carey Hulyer, Alex R., Briggs, Deborah A., O'Mara, Megan L., Kerr, Ian D., Harmer, Jeffrey R. and Callaghan, Richard (2020). Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane. Journal of Structural Biology, 211 (1) 107513, 1-14. doi: 10.1016/j.jsb.2020.107513

Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane

2020

Journal Article

High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A π-stacking interactions for small-molecule recognition

Ou, Arnold, Schmidberger, Jason W., Wilson, Katie A., Evans, Cameron W., Hargreaves, Jessica A., Grigg, Melanie, O'Mara, Megan L., Iyer, K. Swaminathan, Bond, Charles S. and Smith, Nicole M. (2020). High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A π-stacking interactions for small-molecule recognition. Nucleic Acids Research, 48 (10), 5766-5776. doi: 10.1093/nar/gkaa262

High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A π-stacking interactions for small-molecule recognition

2020

Journal Article

A multifunctional surfactant catalyst inspired by hydrolases

Nothling, Mitchell D., Xiao, Zeyun, Hill, Nicholas S., Blyth, Mitchell T., Bhaskaran, Ayana, Sani, Marc-Antoine, Espinosa-Gomez, Andrea, Ngov, Kevin, White, Jonathan, Buscher, Tim, Separovic, Frances, O'Mara, Megan L., Coote, Michelle L. and Connal, Luke A. (2020). A multifunctional surfactant catalyst inspired by hydrolases. Science Advances, 6 (14) eaaz0404, eaaz0404. doi: 10.1126/sciadv.aaz0404

A multifunctional surfactant catalyst inspired by hydrolases

2020

Journal Article

Comparing nonbonded metal ion models in the divalent cation binding protein PsaA

MacDermott-Opeskin, Hugo, McDevitt, Christopher A. and O'Mara, Megan L. (2020). Comparing nonbonded metal ion models in the divalent cation binding protein PsaA. Journal of Chemical Theory and Computation, 16 (3), 1913-1923. doi: 10.1021/acs.jctc.9b01180

Comparing nonbonded metal ion models in the divalent cation binding protein PsaA

2020

Journal Article

The fats of life: using computational chemistry to characterise the eukaryotic cell membrane

Wilson, Katie A., Wang, Lily, MacDermott-Opeskin, Hugo and O'Mara, Megan L. (2020). The fats of life: using computational chemistry to characterise the eukaryotic cell membrane. Australian Journal of Chemistry, 73 (2-3), 85-95. doi: 10.1071/ch19353

The fats of life: using computational chemistry to characterise the eukaryotic cell membrane

2019

Journal Article

Multidrug resistance in Neisseria gonorrhoeae: identification of functionally important residues in the MtrD efflux protein

Chitsaz, Mohsen, Booth, Lauren, Blyth, Mitchell T., O’Mara, Megan L. and Brown, Melissa H. (2019). Multidrug resistance in Neisseria gonorrhoeae: identification of functionally important residues in the MtrD efflux protein. mBio, 10 (6) e02277-19. doi: 10.1128/mbio.02277-19

Multidrug resistance in Neisseria gonorrhoeae: identification of functionally important residues in the MtrD efflux protein

2019

Journal Article

Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics

Mostyn, Shannon N., Wilson, Katie A., Schumann-Gillette, Alexandra, Frangos, Zachary J., Shimmon, Susan, Rawling, Tristan, Ryan, Renae M., O'Mara, Megan L. and Vandenberg, Robert J. (2019). Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics. eLife, 8 e47150. doi: 10.7554/elife.47150

Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics

2019

Journal Article

Is protein structure enough? A review of the role of lipids in SLC6 transporter function

Schumann-Gillett, Alexandra, Blyth, Mitchell T. and O'Mara, Megan L. (2019). Is protein structure enough? A review of the role of lipids in SLC6 transporter function. Neuroscience Letters, 700, 64-69. doi: 10.1016/j.neulet.2018.05.020

Is protein structure enough? A review of the role of lipids in SLC6 transporter function

2019

Journal Article

Lipid-based inhibitors act directly on GlyT2

Schumann-Gillett, Alexandra and O'Mara, Megan L. (2019). Lipid-based inhibitors act directly on GlyT2. ACS Chemical Neuroscience, 10 (3), 1668-1678. doi: 10.1021/acschemneuro.8b00586

Lipid-based inhibitors act directly on GlyT2

2019

Journal Article

Mutation p.R356Q in the collybistin phosphoinositide binding site Is associated with mild intellectual disability

Chiou, Tzu-Ting, Long, Philip, Schumann-Gillett, Alexandra, Kanamarlapudi, Venkateswarlu, Haas, Stefan A., Harvey, Kirsten, O'Mara, Megan L., De Blasi, Angel L., Kalscheuer, Vera M. and Harvey, Robert J. (2019). Mutation p.R356Q in the collybistin phosphoinositide binding site Is associated with mild intellectual disability. Frontiers in Molecular Neuroscience, 12 60. doi: 10.3389/fnmol.2019.00060

Mutation p.R356Q in the collybistin phosphoinositide binding site Is associated with mild intellectual disability

2019

Journal Article

Probing the pharmacological binding sites of P-glycoprotein using umbrella sampling simulations

Subramanian, Nandhitha, Schumann-Gillett, Alexandra, Mark, Alan E. and O’Mara, Megan L. (2019). Probing the pharmacological binding sites of P-glycoprotein using umbrella sampling simulations. Journal of Chemical Information and Modeling, 59 (5) acs.jcim.8b00624, 2287-2298. doi: 10.1021/acs.jcim.8b00624

Probing the pharmacological binding sites of P-glycoprotein using umbrella sampling simulations

2019

Journal Article

The effects of oxidised phospholipids and cholesterol on the biophysical properties of POPC bilayers

Schumann-Gillett, Alexandra and O'Mara, Megan L. (2019). The effects of oxidised phospholipids and cholesterol on the biophysical properties of POPC bilayers. Biochimica et Biophysica Acta - Biomembranes, 1861 (1), 210-219. doi: 10.1016/j.bbamem.2018.07.012

The effects of oxidised phospholipids and cholesterol on the biophysical properties of POPC bilayers

2018

Journal Article

Molecular determinants for substrate interactions with the glycine transporter GlyT2

Carland, Jane E., Thomas, Michael, Mostyn, Shannon N., Subramanian, Nandhitha, O'Mara, Megan L., Ryan, Renae M. and Vandenberg, Robert J. (2018). Molecular determinants for substrate interactions with the glycine transporter GlyT2. ACS Chemical Neuroscience, 9 (3), 603-614. doi: 10.1021/acschemneuro.7b00407

Molecular determinants for substrate interactions with the glycine transporter GlyT2

2018

Journal Article

The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment

Condic-Jurkic, Karmen, Subramanian, Nandhitha, Mark, Alan E. and O'Mara, Megan L. (2018). The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment. PloS One, 13 (1) e0191882, 1-24. doi: 10.1371/journal.pone.0191882

The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment

2017

Journal Article

Capturing the dynamics of a spring-loaded protein

Mitchell, Joshua A. and O'Mara, Megan L. (2017). Capturing the dynamics of a spring-loaded protein. Structure, 25 (7), 963-964. doi: 10.1016/j.str.2017.06.008

Capturing the dynamics of a spring-loaded protein

2017

Journal Article

A potential new, stable state of the E-cadherin strand-swapped dimer in solution

Schumann-Gillett, Alexandra, Mark, Alan E., Deplazes, Evelyne and O'Mara, Megan L. (2017). A potential new, stable state of the E-cadherin strand-swapped dimer in solution. European Biophysics Journal, 47 (1), 59-67. doi: 10.1007/s00249-017-1229-3

A potential new, stable state of the E-cadherin strand-swapped dimer in solution

2017

Journal Article

Hydrogen bond-driven self–assembly between amidinium cations and carboxylate anions: a combined molecular dynamics, NMR spectroscopy, and single crystal X-ray diffraction study

Thomas, Michael, Anglim Lagones, Thomas, Judd, Martyna, Morshedi, Mahbod, O'Mara, Megan L. and White, Nicholas G. (2017). Hydrogen bond-driven self–assembly between amidinium cations and carboxylate anions: a combined molecular dynamics, NMR spectroscopy, and single crystal X-ray diffraction study. Chemistry - An Asian Journal, 12 (13), 1587-1597. doi: 10.1002/asia.201700406

Hydrogen bond-driven self–assembly between amidinium cations and carboxylate anions: a combined molecular dynamics, NMR spectroscopy, and single crystal X-ray diffraction study

2017

Book Chapter

Method for developing optical sensors using a synthetic dye-fluorescent protein FRET pair and computational modeling and assessment

Mitchell, Joshua A., Zhang, William H., Herde, Michel K., Henneberger, Christian, Janovjak, Harald, O’Mara, Megan L. and Jackson, Colin J. (2017). Method for developing optical sensors using a synthetic dye-fluorescent protein FRET pair and computational modeling and assessment. Synthetic Protein Switches: Methods and Protocols. (pp. 89-99) New York, NY, United States: Humana Press. doi: 10.1007/978-1-4939-6940-1_6

Method for developing optical sensors using a synthetic dye-fluorescent protein FRET pair and computational modeling and assessment

Current funding

  • 2025 - 2027
    Quantum-Enabled Low-Field Magnetic Resonance Imaging for High-Performance Sport
    Queensland Government Department of Environment, Science and Innovation
    Open grant
  • 2023 - 2026
    Overcoming antiseptic and disinfectant resistance in staphylococci (NHMRC Ideas Grant administered by Flinders University)
    Flinders University
    Open grant

Past funding

  • 2022 - 2024
    Synthetic Biology for Synthesis of Novel Polymers Used in Energy Storage
    Commonwealth Defence Science and Technology Group
    Open grant
  • 2015
    Characterising new therapeutic targets in the fight against pneumococcal disease using computational simulations as an alternative to animal models
    The MAWA Trust
    Open grant
  • 2014
    A parallel computer facility for modelling and simulation
    UQ Major Equipment and Infrastructure
    Open grant
  • 2013 - 2015
    Membrane proteins: Understanding biological switches, motors and triggers.
    ARC Discovery Projects
    Open grant
  • 2013 - 2016
    Understanding multidrug resistance in cancer: identification of the substrate and inhibitor binding sites in P-glycoprotein
    NHMRC Project Grant
    Open grant
  • 2012
    ResTeach Funding 2012 0.05 FTE School of Math & Physics
    UQ ResTeach
    Open grant
  • 2012 - 2015
    Understanding multidrug resistance: identifying the molecular basis of substrate and inhibitor transport by P-glycoprotein
    ARC Discovery Early Career Researcher Award
    Open grant
  • 2012
    ResTeach Funding 2012 0.05 FTE School of Chemistry and Molecular Biosciences
    UQ ResTeach
    Open grant
  • 2010 - 2011
    ResTeach 2010 0.1 FTE School of Chemistry and Molecular Biosciences
    UQ ResTeach
    Open grant
  • 2010
    The mechanism of viral entry into cells: understanding how Glycoprotein 2 from Ebola initiates membrane fusion
    UQ Early Career Researcher
    Open grant
  • 2010 - 2012
    The role of glutamine transporter SNAT3 in ion transport, cell signalling and ammonia detoxification (NHMRC project grant administered by the Australian National University)
    Australian National University
    Open grant

Availability

Professor Megan O'Mara is:
Available for supervision

Before you email them, read our advice on how to contact a supervisor.

Available projects

  • Computational design of biocompatable delivery systems

    Biocompatible delivery systems allow enhanced delivery of pharmaceuticals, vaccines and other biological payload molecules, with varied effects including extending the pharmaceutical half-life of drugs, increasing adsorption and decreasing immunogenicity. While these agents have increased the efficacy of many biological therapies, very little work has been done on improving the targeting of these agents to the specific cell or receptor of interest. This project will examine strategies to increase the selectivity of biopolymer delivery systems to enhance the ability to target specific cell types or receptors, thereby reducing off target effects. This project will identify the chemical composition and biophysical characteristics of different cell membranes, and how this impacts their interaction with biopolymer delivery systems. The project requires good collaboration skills, an broad understanding of chemistry and biochemistry, and strong skills in multiscale modelling techniques, from QMMM to coarse grained molecular dynamics.

  • The impact of lipid modifications on cell membrane function

    Membrane lipid composition influences the localisation of membrane proteins and regulates their activity. The hundreds of chemically distinct lipids within cell membranes phase-separate to form microdomains that impact the localisation and interactions of membrane proteins. The composition of the cell membrane is tightly controlled in normal cellular function. There is now considerable evidence that altered cell homeostasis, ranging from inflammatory processes to cancer, cause alterations in metabolic pathways which impact membrane lipid distributions, cell biophysical properties and membrane protein function. This may have downstream impacts on the uptake and efficacy of a range of pharmaceuticals used to treat dysfunction. Using data derived from mass spectrometry and other experimental approaches, this project will use multiscale simulation techniques to examine how changes in lipid membrane composition in cancer and other disease states impacts drug uptake. This knowledge will provide a means to specifically target a given cell type through the drug delivery systems and targeted therapeutics.

  • Membrane mediated antimicrobial resistance

    Bacterial multidrug efflux pumps are the bacteria’s first line of defence against the action of antimicrobials. However, very little is currently known about the function and substrate range of these efflux pumps. This project will examine different multidrug efflux pumps to uncover the structural basis of substrate specificity and transport. It will examine the impact of bacterial membrane modifications on bacterial multidrug efflux pump function, and how peptide- and/or polymer-based antimicrobials inhibit multidrug efflux pumps and disrupt membrane integrity. Other avenues of investigation include characterising the effect of lipid modifications in antimicrobial resistance, and computational drug design of lead new candidates for antimicrobial design. This project uses a range of computational techniques, primarily multiscale molecular dynamics simulations.

  • Allosteric modulation of synaptic transmission by neurosteroids and oxysterols

    The development of effective therapeutics that target chronic pain in neurological diseases would significantly improve the quality of life for millions of people living with chronic pain. The glycinergic neuronal transport proteins are a promising target for the treatment of chronic pain. In neurons and other cells, the membrane lipid composition influences the localisation of membrane proteins and regulates their activity. The hundreds of chemically distinct lipids within cell membranes phase-separate to form microdomains that impact the localisation and interactions of membrane proteins. Oxidative stress is an early hallmark of inflammation and disease that causes chemical modifications to membrane lipids, proteins, and other biomolecules. This impacts their function and influences their biophysical properties. This project will examine the effect of oxysterols and neurosteroids on the inhibition of glycernergic synaptic membrane proteins for the development of targeted therapeutics for the treatment of chronic pain in specific disease states. This is a computational project. The direction of the project can be tailored to the interests of the student.

Supervision history

Current supervision

  • Doctor Philosophy

    Targeting alterations in cell membrane biophysics for disease intervention

    Principal Advisor

    Other advisors: Dr Evelyne Deplazes

  • Doctor Philosophy

    The effect of membrane composition on protein-ligand interactions in drug design and delivery

    Principal Advisor

    Other advisors: Professor Debra Bernhardt

  • Doctor Philosophy

    Investigation of the mechanisms of antimicrobial resistance and design of novel antimicrobials

    Principal Advisor

    Other advisors: Dr Evelyne Deplazes

  • Doctor Philosophy

    Unravelling the Physicochemical Drivers of Biomolecular Self-Assembly though Multiscale Simulations

    Principal Advisor

    Other advisors: Professor David Ascher, Dr Evelyne Deplazes

  • Doctor Philosophy

    Computational design of targeted lipid technologies

    Principal Advisor

    Other advisors: Professor David Ascher

Completed supervision

Enquiries

Contact Professor Megan O'Mara directly for media enquiries about:

  • biophysics
  • computational chemistry
  • drug design
  • supercomputers - applications
  • women in STEM

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