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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 A ring to rule them all: the effect of cyclopropane fatty acids on the fluidity of lipid bilayersPoger, David and Mark, Alan E. (2015). A ring to rule them all: the effect of cyclopropane fatty acids on the fluidity of lipid bilayers. Journal of Physical Chemistry B, 119 (17), 5487-5495. doi: 10.1021/acs.jpcb.5b00958 |
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2015 Journal Article The characterization of modified starch branching enzymes: toward the vontrol of starch chain-length distributionsLi, Cheng, Wu, Alex Chi, Go, Rob Marc, Malouf, Jacob, Turner, Mark S., Malde, Alpeshkumar K., Mark, Alan E. and Gilbert, Robert G. (2015). The characterization of modified starch branching enzymes: toward the vontrol of starch chain-length distributions. PLoS One, 10 (4) e0125507, 1-21. doi: 10.1371/journal.pone.0125507 |
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2015 Conference Publication Validation of ligands in X-ray crystal structuresMalde, Alpeshkumar K. and Mark, Alan E. (2015). Validation of ligands in X-ray crystal structures. The 19th Conversation, Albany/State University of New York, 9-13 June 2015. New York, United States: Taylor and Francis. doi: 10.1080/07391102.2015.1032816 |
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2015 Conference Publication Validation and development of force field parameters for drug and drug-like moleculesKoziara, K. B., Stroet, M., Malde, A. K. and Mark, A. E. (2015). Validation and development of force field parameters for drug and drug-like molecules. 10th European Biophysical Societies Association (EBSA) European Biophysics Congress, Dresden, Germany, 18-22 July, 2015. New York, NY, United States: Springer. |
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2015 Conference Publication Validation and development of the force field parameters for drug and drug-like moleculesKoziara, Katarzyna B., Stroet, Martin, Malde, Alpeshkumar K. and Mark, Alan E. (2015). Validation and development of the force field parameters for drug and drug-like molecules. Biophysical Society 59th Annual Meeting, Baltimore, United States, February 7-11, 2015. St. Louis, United States: Cell Press. doi: 10.1016/j.bpj.2014.11.869 |
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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 Effect of methyl-branched fatty acids on the structure of lipid bilayersPoger, David, Caron, Bertrand and Mark, Alan E. (2014). Effect of methyl-branched fatty acids on the structure of lipid bilayers. Journal of Physical Chemistry B, 118 (48), 13838-13848. doi: 10.1021/jp503910r |
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2014 Journal Article Some like it hot: the effect of sterols and hopanoids on lipid ordering at high temperatureCaron, Bertrand, Mark, Alan E. and Poger, David (2014). Some like it hot: the effect of sterols and hopanoids on lipid ordering at high temperature. Journal of Physical Chemistry Letters, 5 (22), 3953-3957. doi: 10.1021/jz5020778 |
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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 Activation of the epidermal growth factor receptor: a series of twists and turnsPoger, David and Mark, Alan E. (2014). Activation of the epidermal growth factor receptor: a series of twists and turns. Biochemistry, 53 (16), 2710-2721. doi: 10.1021/bi401632z |
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2014 Journal Article The recognition of membrane-bound PtdIns3P by PX domainsJia, ZhiGuang, Ghai, Rajesh, Collins, Brett M. and Mark, Alan E. (2014). The recognition of membrane-bound PtdIns3P by PX domains. Proteins: structure, function, and bioinformatics, 82 (10), 2332-2342. doi: 10.1002/prot.24593 |
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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 The revised Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not scientifically justified. Comment on "Consciousness in the universe: A review of the 'Orch OR' theory" by Hameroff and PenroseReimers, Jeffrey R., McKemmish, Laura K., McKenzie, Ross H., Mark, Alan E. and Hush, Noel S. (2014). The revised Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not scientifically justified. Comment on "Consciousness in the universe: A review of the 'Orch OR' theory" by Hameroff and Penrose. Physics of Life Reviews, 11 (1), 101-103. doi: 10.1016/j.plrev.2013.11.003 |
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2014 Journal Article Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpiesKoziara, Katarzyna B., Stroet, Martin, Malde, Alpeshkumar K. and Mark, Alan E. (2014). Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies. Journal of Computer-Aided Molecular Design, 28 (3), 221-233. doi: 10.1007/s10822-014-9713-7 |
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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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2014 Journal Article Does tautomerization of FapyG influence its mutagenicity?Jena, Nihar R., Mark, Alan E. and Mishra, Phool C. (2014). Does tautomerization of FapyG influence its mutagenicity?. ChemPhysChem, 15 (9), 1779-1784. doi: 10.1002/cphc.201400045 |
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2014 Journal Article Determining the structure of interfacial peptide films: comparing neutron reflectometry and molecular dynamics simulationsXue, Ying, He, Lizhong, Middelberg, Anton P. J., Mark, Alan E. and Poger, David (2014). Determining the structure of interfacial peptide films: comparing neutron reflectometry and molecular dynamics simulations. Langmuir, 30 (33), 10080-10089. doi: 10.1021/la501715h |
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2014 Journal Article Small-Angle X-Ray Scattering for the Discerning Macromolecular CrystallographerCasey, Lachlan W., Mark, Alan E. and Kobe, Bostjan (2014). Small-Angle X-Ray Scattering for the Discerning Macromolecular Crystallographer. Australian Journal of Chemistry, 67 (12), 1786-1792. doi: 10.1071/CH14396 |
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2013 Journal Article The relative effect of sterols and hopanoids on lipid bilayers: when comparable is not identicalPoger, David and Mark, Alan E. (2013). The relative effect of sterols and hopanoids on lipid bilayers: when comparable is not identical. Journal of Physical Chemistry B, 117 (50), 16129-16140. doi: 10.1021/jp409748d |
