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2015 Journal Article Characterizing the conformational dynamics of metal-free PsaA usingmolecular dynamics simulations and electron paramagnetic resonance spectroscopyDeplazes, Evelyne, Begg, Stephanie L., van Wonderen, Jessica H., Campbell, Rebecca, Kobe, Bostjan, Paton, James C., MacMillan, Fraser, McDevitt, Christopher A. and O'Mara, Megan L. (2015). Characterizing the conformational dynamics of metal-free PsaA usingmolecular dynamics simulations and electron paramagnetic resonance spectroscopy. Biophysical Chemistry, 207, 51-60. doi: 10.1016/j.bpc.2015.08.004 |
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2015 Journal Article Molecular basis for the interaction of the mammalian amino acid transporters B0AT1 and B0AT3 with their ancillary protein collectrinFairweather, Stephen J., Broeer, Angelika, Subramanian, Nandhitha, Turner, Ennrah, Cheng, Qi, Schmoll, Dieter, O'Mara, Megan L. and Broeer, Stefan (2015). Molecular basis for the interaction of the mammalian amino acid transporters B0AT1 and B0AT3 with their ancillary protein collectrin. Journal of Biological Chemistry, 290 (40), 24308-24325. doi: 10.1074/jbc.M115.648519 |
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2015 Journal Article Identification of possible binding sites for morphine and nicardipine on the multidrug transporter P-Glycoprotein using umbrella sampling techniquesSubramanian, Nandhitha, Condic-Jurkic, Karmen, Mark, Alan E. and O'Mara, Megan L. (2015). Identification of possible binding sites for morphine and nicardipine on the multidrug transporter P-Glycoprotein using umbrella sampling techniques. Journal of Chemical Information and Modeling, 55 (6), 1202-1217. doi: 10.1021/ci5007382 |
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2015 Journal Article Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniaeBegg, Stephanie L., Eijkelkamp, Bart A., Luo, Zhenyao, Couñago, Rafael M., Morey, Jacqueline R., Maher, Megan J., Ong, Cheryl-lynn Y., McEwan, Alastair G., Kobe, Bostjan, O'Mara, Megan L., Paton, James C. and McDevitt, Christopher A. (2015). Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nature Communications, 6 (6418) 6418, 1-11. doi: 10.1038/ncomms7418 |
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2015 Conference Publication Insights into the operations of a promiscuous drug trafficker: The story of P-glycoproteinCondic-Jurkic, K., Subramanian, N., Mark, A. E. and O'Mara, M. (2015). Insights into the operations of a promiscuous drug trafficker: The story of P-glycoprotein. 10th European Biophysical Societies Association (EBSA) European Biophysics Congress, Dresden, Germany, 18-22 July 2015. Heidelberg, Germany: Springer. doi: 10.1007/s00249-015-1045-6 |
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2014 Journal Article Mechanism of activation of protein kinase JAK2 by the growth hormone receptorBrooks, Andrew J., Dai, Wei, O’Mara, Megan L., Abankwa, Daniel, Chhabra, Yash, Pelekanos, Rebecca A., Gardon, Olivier, Tunny, Kathryn A., Blucher, Kristopher M., Morton, Craig J., Parker, Michael W., Sierecki, Emma, Gambin, Yann, Gomez, Guillermo A., Alexandrov, Kirill, Wilson, Ian A., Doxastakis, Manolis, Mark, Alan E. and Waters, Michael J. (2014). Mechanism of activation of protein kinase JAK2 by the growth hormone receptor. Science, 344 (6185) 1249783, 1249783.1-1249783.12. doi: 10.1126/science.1249783 |
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2014 Journal Article The central cavity of ABCB1 undergoes alternating access during ATP hydrolysisvan Wonderen, Jessica H., McMahon, Róisin M., O'Mara, Megan L., McDevitt, Christopher A., Thomson, Andrew J., Kerr, Ian D., MacMillan, Fraser and Callaghan, Richard (2014). The central cavity of ABCB1 undergoes alternating access during ATP hydrolysis. FEBS Journal, 281 (9), 2190-2201. doi: 10.1111/febs.12773 |
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2014 Book Chapter Polypeptide and protein modeling for drug designO’Mara, Megan L. and Deplazes, Evelyne (2014). Polypeptide and protein modeling for drug design. Encyclopedia of computational neuroscience. (pp. 1-9) New York, United States: Springer . doi: 10.1007/978-1-4614-7320-6_732-1 |
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2014 Journal Article Structural characterization of two metastable ATP-bound states of P-glycoproteinO'Mara, Megan L. and Mark, Alan E. (2014). Structural characterization of two metastable ATP-bound states of P-glycoprotein. PLoS One, 9 (3) e91916, e91916.1-e91916.14. doi: 10.1371/journal.pone.0091916 |
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2014 Journal Article AdcA and AdcAII employ distinct zinc acquisition mechanisms and contribute additively to zinc homeostasis in Streptococcus pneumoniaePlumptre, Charles D., Eijkelkamp, Bart A., Morey, Jacqueline R., Behr, Felix, Couñago, Rafael M., Ogunniyi, Abiodun D., Kobe, Bostjan, O'Mara, Megan L., Paton, James C. and McDevitt, Christopher A. (2014). AdcA and AdcAII employ distinct zinc acquisition mechanisms and contribute additively to zinc homeostasis in Streptococcus pneumoniae. Molecular Microbiology, 91 (4), 834–851-834–851. doi: 10.1111/mmi.12504 |
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2014 Book Chapter Polypeptide and protein modeling for drug designO'Mara, Megan and Deplazes, Evelyne (2014). Polypeptide and protein modeling for drug design. Encyclopedia of computational neuroscience. (pp. 2439-2447) edited by Dieter Jaeger and Ranu Jung. Berlin, Germany: Springer. doi: 10.1007/978-1-4614-6675-8_732 |
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2014 Conference Publication A new cytokine receptor activation paradigm: Activation of JAK2 by the growth hormone receptorBrooks, Andrew J, Chhabra, Yash, Abankwa, Daniel, O’Mara, Megan, Dai, Wei, Gardon, Olivier, Tunny, Kathryn A., Blucher, Kristopher M., Morton, Craig J., Parker, Michael W., Sierecki, Emma, Gambin, Yann, Guillermo A. Gomez, Alexandrov, Kirill Kirill, Doxastakis, Manolis, Mark, Alan E. and Waters, Michael J. (2014). A new cytokine receptor activation paradigm: Activation of JAK2 by the growth hormone receptor. 2nd Annual Meeting of the International Cytokine and Interferon Society (ICIS), Melbourne, VIC Australia, 26 - 29 October 2014. London, United Kingdom: Academic Press. doi: 10.1016/j.cyto.2014.07.227 |
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2013 Journal Article Vancomycin: ligand recognition, dimerization and super-complex formationJia, ZhiGuang, O'Mara, Megan L., Zuegg, Johannes, Cooper, Matthew A. and Mark, Alan E. (2013). Vancomycin: ligand recognition, dimerization and super-complex formation. FEBS Journal, 280 (5), 1294-1307. doi: 10.1111/febs.12121 |
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2013 Journal Article Erratum: The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II (Biophysical Journal (2011) 101 (2684-2692))Jia, Z. G., O'Mara, M. L., Zuegg, J., Matthew Cooper and Mark, Alan (2013). Erratum: The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II (Biophysical Journal (2011) 101 (2684-2692)). Biophysical Journal, 104 (2), 516-516. doi: 10.1016/j.bpj.2012.12.031 |
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2012 Journal Article Intestinal peptidases form functional complexes with the neutral amino acid transporter B0AT1Fairweather, Stephen J., Broer, Angelika, O'Mara, Megan L. and Broer, Stefan (2012). Intestinal peptidases form functional complexes with the neutral amino acid transporter B0AT1. Biochemical Journal, 446 (1), 135-148. doi: 10.1042/BJ20120307 |
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2012 Conference Publication Chicken TAP genes are polymorphic and co-evolve with the dominantly-expressed class I geneSowa, Anna, Harrison, Michael, Tregaskes, Clive, Chappell, Paul, Roversi, Pietro, Lea, Susan, O'Mara, Megan, Gaudet, Rachelle and Kaufman, Jim (2012). Chicken TAP genes are polymorphic and co-evolve with the dominantly-expressed class I gene. 7th Biannual Workshop on Antigen Presentation, Amsterdam, Netherlands, 24-27 April 2012. Oxford, United Kingdom: Pergamon. doi: 10.1016/j.molimm.2012.02.050 |
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2012 Journal Article Molecular dynamics simulations of membrane proteins: building starting structures and example applicationsSchmidt, Thomas H., O’Mara, Megan L. and Kandt, Christian (2012). Molecular dynamics simulations of membrane proteins: building starting structures and example applications. Current Physical Chemistry, 2 (4), 363-378. |
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2011 Journal Article The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid IIJia, ZhiGuang, O'Mara, Megan L., Zuegg, Johannes, Cooper, Matthew A. and Mark, Alan E. (2011). The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II. Biophysical Journal, 101 (11), 2684-2692. doi: 10.1016/j.bpj.2011.10.047 |
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2011 Journal Article Orientation of mu-conotoxin PIIIA in a sodium channel vestibule, based on voltage dependence of its bindingMcArthur, J. R., Singh, G., O'Mara, M. L., McMaster, D., Ostroumov, V., Tieleman, D. P. and French, R. J. (2011). Orientation of mu-conotoxin PIIIA in a sodium channel vestibule, based on voltage dependence of its binding. Molecular Pharmacology, 80 (2), 219-227. doi: 10.1124/mol.111.071779 |
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2011 Journal Article Effect of poly(ethylene glycol) (PEG) spacers on the conformational properties of small peptides: A molecular dynamics studyXue, Ying, O'Mara, Megan L., Surawski, Peter P. T., Trau, Matt and Mark, Alan E. (2011). Effect of poly(ethylene glycol) (PEG) spacers on the conformational properties of small peptides: A molecular dynamics study. Langmuir, 27 (1), 296-303. doi: 10.1021/la103800h |
