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2022 Journal Article Conserved FimH mutations in the global Escherichia coli ST131 multi-drug resistant lineage weaken interdomain interactions and alter adhesin functionQin, Jilong, Wilson, Katie A., Sarkar, Sohinee, Heras, Begoña, O'Mara, Megan L. and Totsika, Makrina (2022). Conserved FimH mutations in the global Escherichia coli ST131 multi-drug resistant lineage weaken interdomain interactions and alter adhesin function. Computational and Structural Biotechnology Journal, 20, 4532-4541. doi: 10.1016/j.csbj.2022.08.040 |
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2022 Journal Article Dynamics of the Acinetobacter baumannii inner membrane under exogenous polyunsaturated fatty acid stressMacDermott-Opeskin, Hugo I., Panizza, Alessandra, Eijkelkamp, Bart A. and O'Mara, Megan L. (2022). Dynamics of the Acinetobacter baumannii inner membrane under exogenous polyunsaturated fatty acid stress. Biochimica et Biophysica Acta. Biomembranes, 1864 (7) 183908, 183908. doi: 10.1016/j.bbamem.2022.183908 |
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2022 Journal Article PsiRESP: calculating RESP charges with Psi4Wang, Lily and O’Mara, Megan L. (2022). PsiRESP: calculating RESP charges with Psi4. Journal of Open Source Software, 7 (73), 4100. doi: 10.21105/joss.04100 |
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2022 Journal Article Loss, gain and altered function of GlyR α2 subunit mutations in neurodevelopmental disordersChen, Xiumin, Wilson, Katie A., Schaefer, Natascha, De Hayr, Lachlan, Windsor, Mark, Scalais, Emmanuel, van Rijckevorsel, Germaine, Stouffs, Katrien, Villmann, Carmen, O’Mara, Megan L., Lynch, Joseph W. and Harvey, Robert J. (2022). Loss, gain and altered function of GlyR α2 subunit mutations in neurodevelopmental disorders. Frontiers in Molecular Neuroscience, 15 886729. doi: 10.3389/fnmol.2022.886729 |
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2022 Journal Article Hydroxy groups enhance [2]rotaxane anion binding selectivityGoodwin, Rosemary J., Docker, Andrew, MacDermott-Opeskin, Hugo, Aitken, Heather M., O'Mara, Megan L., Beer, Paul D. and White, Nicholas G. (2022). Hydroxy groups enhance [2]rotaxane anion binding selectivity. Chemistry-A European Journal, 28 (28) e202200389, e202200389. doi: 10.1002/chem.202200389 |
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2022 Journal Article Heteroleptic tripalladium(II) cagesFindlay, James A., Patil, Komal M., Gardiner, Michael G., MacDermott-Opeskin, Hugo, O'Mara, Megan L., Kruger, Paul E. and Preston, Dan (2022). Heteroleptic tripalladium(II) cages. Chemistry: An Asian Journal, 17 (6) e202200093. doi: 10.1002/asia.202200093 |
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2022 Journal Article Polymer-solvent interactions as a tool to engineer material propertiesAitken, Heather M., Jiang, Zhen, Hampton, Isaac, O'Mara, Megan L. and Connal, Luke A. (2022). Polymer-solvent interactions as a tool to engineer material properties. Molecular Systems Design and Engineering, 7 (7), 746-754. doi: 10.1039/d1me00111f |
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2022 Journal Article Lipid-mediated antimicrobial resistance: a phantom menace or a new hope?MacDermott-Opeskin, Hugo I., Gupta, Vrinda and O’Mara, Megan L. (2022). Lipid-mediated antimicrobial resistance: a phantom menace or a new hope?. Biophysical Reviews, 14 (1), 145-162. doi: 10.1007/s12551-021-00912-8 |
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2022 Journal Article Pore structure controls stability and molecular flux in engineered protein cagesAdamson, Lachlan S. R., Tasneem, Nuren, Andreas, Michael P., Close, William, Jenner, Eric N., Szyszka, Taylor N., Young, Reginald, Cheah, Li Chen, Norman, Alexander, MacDermott-Opeskin, Hugo I., O’Mara, Megan L., Sainsbury, Frank, Giessen, Tobias W. and Lau, Yu Heng (2022). Pore structure controls stability and molecular flux in engineered protein cages. Science Advances, 8 (5) eabl7346, eabl7346. doi: 10.1126/sciadv.abl7346 |
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2022 Journal Article Simple synthetic route to a self-assembling enzyme-inspired transesterification catalystsKumar, Ashwani, Nothling, Mitchell David, Aitken, Heather M., Xiao, Zeyun, Lam, Mathew, Bell, Craig, O'Mara, Megan and Connal, Luke Andrew (2022). Simple synthetic route to a self-assembling enzyme-inspired transesterification catalysts. Catalysis Science and Technology, 12 (22), 6655-6659. doi: 10.1039/d2cy00744d |
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2021 Journal Article Site of cholesterol oxidation impacts its localization and domain formation in the neuronal plasma membraneWilson, Katie A., Wang, Lily and O’Mara, Megan L. (2021). Site of cholesterol oxidation impacts its localization and domain formation in the neuronal plasma membrane. ACS Chemical Neuroscience, 12 (20), 3873-3884. doi: 10.1021/acschemneuro.1c00395 |
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2021 Journal Article Effect of the force field on molecular dynamics simulations of the multidrug efflux protein P-glycoproteinWang, Lily and O’Mara, Megan L. (2021). Effect of the force field on molecular dynamics simulations of the multidrug efflux protein P-glycoprotein. Journal of Chemical Theory and Computation, 17 (10), 6491-6508. doi: 10.1021/acs.jctc.1c00414 |
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2021 Journal Article The structural basis of bacterial manganese importNeville, Stephanie L., Sjoehamn, Jennie, Watts, Jacinta A., MacDermott-Opeskin, Hugo, Fairweather, Stephen J., Ganio, Katherine, Hulyer, Alex Carey, McGrath, Aaron P., Hayes, Andrew J., Malcolm, Tess R., Davies, Mark R., Nomura, Norimichi, Iwata, So, O'Mara, Megan L., Maher, Megan J. and McDevitt, Christopher A. (2021). The structural basis of bacterial manganese import. Science Advances, 7 (32) eabg3980. doi: 10.1126/sciadv.abg3980 |
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2021 Journal Article A unique sequence is essential for efficient multidrug efflux function of the MtrD protein of Neisseria gonorrhoeaeChitsaz, Mohsen, Gupta, Vrinda, Harris, Benjamin, O'Mara, Megan L. and Brown, Melissa H. (2021). A unique sequence is essential for efficient multidrug efflux function of the MtrD protein of Neisseria gonorrhoeae. mBio, 12 (4) e01675-21. doi: 10.1128/mbio.01675-21 |
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2021 Journal Article The membrane composition defines the spatial organization and function of a major Acinetobacter baumannii drug efflux systemZang, Maoge, MacDermott-Opeskin, Hugo, Adams, Felise G., Naidu, Varsha, Waters, Jack K., Carey, Ashley B., Ashenden, Alex, McLean, Kimberley T., Brazel, Erin B., Jiang, Jhih-Hang, Panizza, Alessandra, Trappetti, Claudia, Paton, James C., Peleg, Anton Y., Koper, Ingo, Paulsen, Ian T., Hassan, Karl A., O'Mara, Megan L. and Eijkelkamp, Bart A. (2021). The membrane composition defines the spatial organization and function of a major Acinetobacter baumannii drug efflux system. mBio, 12 (3) e01070-21. doi: 10.1128/mbio.01070-21 |
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2021 Journal Article Enzyme inspired polymer functionalized with an artificial catalytic triadBhaskaran, Ayana, Aitken, Heather M., Xiao, Zeyun, Blyth, Mitchell, Nothling, Mitchell D., Kamdar, Shashank, O'Mara, Megan L. and Connal, Luke A. (2021). Enzyme inspired polymer functionalized with an artificial catalytic triad. Polymer, 225 123735, 123735. doi: 10.1016/j.polymer.2021.123735 |
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2021 Journal Article Coordination of substrate binding and protonation in the N. gonorrhoeae MtrD efflux pump controls the functionally rotating transport mechanismFairweather, Stephen J., Gupta, Vrinda, Chitsaz, Mohsen, Booth, Lauren, Brown, Melissa H. and O'Mara, Megan L. (2021). Coordination of substrate binding and protonation in the N. gonorrhoeae MtrD efflux pump controls the functionally rotating transport mechanism. ACS Infectious Diseases, 7 (6), 1833-1847. doi: 10.1021/acsinfecdis.1c00149 |
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2021 Journal Article The role of plasmalogens, Forssman lipids, and sphingolipid hydroxylation in modulating the biophysical properties of the epithelial plasma membraneWilson, Katie A., Fairweather, Stephen J., MacDermott-Opeskin, Hugo I., Wang, Lily, Morris, Richard A. and O'Mara, Megan L. (2021). The role of plasmalogens, Forssman lipids, and sphingolipid hydroxylation in modulating the biophysical properties of the epithelial plasma membrane. The Journal of Chemical Physics, 154 (9) 095101, 095101. doi: 10.1063/5.0040887 |
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2021 Journal Article Investigating the lipid fingerprint of SLC6 neurotransmitter transporters: a comparison of dDAT, hDAT, hSERT, and GlyT2Wilson, Katie A., Wang, Lily, Lin, Yie Chang and O'Mara, Megan L. (2021). Investigating the lipid fingerprint of SLC6 neurotransmitter transporters: a comparison of dDAT, hDAT, hSERT, and GlyT2. BBA Advances, 1 100010, 100010-1. doi: 10.1016/j.bbadva.2021.100010 |
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2021 Journal Article The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavityWilson, Katie A., Mostyn, Shannon N., Frangos, Zachary J., Shimmon, Susan, Rawling, Tristan, Vandenberg, Robert J. and O'Mara, Megan L. (2021). The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavity. Journal of Biological Chemistry, 296 100282, 100282. doi: 10.1016/j.jbc.2021.100282 |
