|
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 recognitionOu, 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 |
|
2020 Journal Article A multifunctional surfactant catalyst inspired by hydrolasesNothling, 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 |
|
2020 Journal Article Comparing nonbonded metal ion models in the divalent cation binding protein PsaAMacDermott-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 |
|
2020 Journal Article The fats of life: using computational chemistry to characterise the eukaryotic cell membraneWilson, 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 |
|
2019 Journal Article Multidrug resistance in Neisseria gonorrhoeae: identification of functionally important residues in the MtrD efflux proteinChitsaz, 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 |
|
2019 Journal Article Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesicsMostyn, 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 |
|
2019 Journal Article Is protein structure enough? A review of the role of lipids in SLC6 transporter functionSchumann-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 |
|
2019 Journal Article Lipid-based inhibitors act directly on GlyT2Schumann-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 |
|
2019 Journal Article Mutation p.R356Q in the collybistin phosphoinositide binding site Is associated with mild intellectual disabilityChiou, 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 |
|
2019 Journal Article Probing the pharmacological binding sites of P-glycoprotein using umbrella sampling simulationsSubramanian, 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 |
|
2019 Journal Article The effects of oxidised phospholipids and cholesterol on the biophysical properties of POPC bilayersSchumann-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 |
|
2018 Journal Article Molecular determinants for substrate interactions with the glycine transporter GlyT2Carland, 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 |
|
2018 Journal Article The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environmentCondic-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 |
|
2017 Journal Article Capturing the dynamics of a spring-loaded proteinMitchell, 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 |
|
2017 Journal Article A potential new, stable state of the E-cadherin strand-swapped dimer in solutionSchumann-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 |
|
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 studyThomas, 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 |
|
2017 Journal Article Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate bindingAnandan, Anandhi, Evans, Genevieve L., Condic-Jurkic, Karmen, O'Mara, Megan L., John, Constance M., Phillips, Nancy J., Jarvis, Gary A., Wills, Siobhan S., Stubbs, Keith A., Moraes, Isabel, Kahler, Charlene M. and Vrielink, Alice (2017). Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding. Proceedings of the National Academy of Sciences of the United States of America, 114 (9), 2218-2223. doi: 10.1073/pnas.1612927114 |
|
2017 Journal Article Erratum: Simple Design of an Enzyme-Inspired Supported Catalyst Based on a Catalytic Triad (Chem (2017) 2(5) (732–745) (S2451929417301705) (10.1016/j.chempr.2017.04.004))Nothling, Mitchell D., Ganesan, Aravindhan, Condic-Jurkic, Karmen, Pressly, Eric, Davalos, Ashley, Gotrik, Michael R., Xiao, Zeyun, Khoshdel, Ezat, Hawker, Craig J., O'Mara, Megan L., Coote, Michelle L. and Connal, Luke A. (2017). Erratum: Simple Design of an Enzyme-Inspired Supported Catalyst Based on a Catalytic Triad (Chem (2017) 2(5) (732–745) (S2451929417301705) (10.1016/j.chempr.2017.04.004)). Chem, 2 (6), 893-894. doi: 10.1016/j.chempr.2017.05.015 |
|
2017 Journal Article Simple design of an enzyme-inspired supported catalyst based on a catalytic triadNothling, Mitchell D., Ganesan, Aravindhan, Condic-Jurkic, Karmen, Pressly, Eric, Davalos, Ashley, Gotrik, Michael R., Xiao, Zeyun, Khoshdel, Ezat, Hawker, Craig J., O'Mara, Megan L., Coote, Michelle L. and Connal, Luke A. (2017). Simple design of an enzyme-inspired supported catalyst based on a catalytic triad. Chem, 2 (5), 732-745. doi: 10.1016/j.chempr.2017.04.004 |
|
2017 Journal Article Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNAKretzmann, Jessica A., Ho, Diwei, Evans, Cameron W., Plani-Lam, Janice H. C., Garcia-Bloj, Benjamin, Mohamed, A. Elaaf, O'Mara, Megan L., Ford, Ethan, Tan, Dennis E. K., Lister, Ryan, Blancafort, Pilar, Norret, Marck and Iyer, K. Swaminathan (2017). Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNA. Chemical Science, 8 (4), 2923-2930. doi: 10.1039/c7sc00097a |
