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2016 Journal Article Revisiting the scissor-like mechanism of activation for the erythropoietin receptorCorbett, Michael S. P., Poger, David and Mark, Alan E. (2016). Revisiting the scissor-like mechanism of activation for the erythropoietin receptor. FEBS Letters, 590 (18), 3083-3088. doi: 10.1002/1873-3468.12340 |
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2016 Journal Article Outcome of the first wwPDB/CCDC/D3R ligand validation workshopAdams, Paul D., Aertgeerts, Kathleen, Bauer, Cary, Bell, Jeffrey A., Berman, Helen M., Bhat, Talapady N., Blaney, Jeff M., Bolton, Evan, Bricogne, Gerard, Brown, David, Burley, Stephen K., Case, David A., Clark, Kirk L., Darden, Tom, Emsley, Paul, Feher, Victoria A., Feng, Zukang, Groom, Colin R., Harris, Seth F., Hendle, Jorg, Holder, Thomas, Joachimiak, Andrzej, Kleywegt, Gerard J., Krojer, Tobias, Marcotrigiano, Joseph, Mark, Alan E., Markley, John L., Miller, Matthew, Minor, Wladek ... Young, Jasmine (2016). Outcome of the first wwPDB/CCDC/D3R ligand validation workshop. Structure, 24 (4), 502-508. doi: 10.1016/j.str.2016.02.017 |
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2016 Journal Article Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioningSubramanian, Nandhitha, Schumann-Gillett, Alexandra, Mark, Alan E. and O'Mara, Megan L. (2016). Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioning. Biochimica et Biophysica Acta: Biomembranes, 1858 (4), 776-782. doi: 10.1016/j.bbamem.2015.12.025 |
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2016 Journal Article Validating lipid force fields against experimental data: progress, challenges and perspectives.Poger, David, Caron, Bertrand and Mark, Alan E. (2016). Validating lipid force fields against experimental data: progress, challenges and perspectives.. Biochimica et Biophysica Acta, 1858 (7), 1556-1565. doi: 10.1016/j.bbamem.2016.01.029 |
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2016 Journal Article Membrane-binding properties of gating modifier and pore-blocking toxins: membrane interaction is not a prerequisite for modification of channel gatingDeplazes, Evelyne, Troeira Henriques, Sonia, Smith, Jennifer J., King, Glenn F., Craik, David J., Mark, Alan E. and Schroeder, Christina I. (2016). Membrane-binding properties of gating modifier and pore-blocking toxins: membrane interaction is not a prerequisite for modification of channel gating. Biochimica et Biophysica Acta - Biomembranes, 1858 (4), 872-882. doi: 10.1016/j.bbamem.2016.02.002 |
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2016 Journal Article Combination of Ambiguous and Unambiguous Data in the Restraint-driven Docking of Flexible Peptides with HADDOCK: The Binding of the Spider Toxin PcTx1 to the Acid Sensing Ion Channel (ASIC) 1aDeplazes, Evelyne, Davies, Josephine, Bonvin, Alexandre M. J. J., King, Glenn F. and Mark, Alan E. (2016). Combination of Ambiguous and Unambiguous Data in the Restraint-driven Docking of Flexible Peptides with HADDOCK: The Binding of the Spider Toxin PcTx1 to the Acid Sensing Ion Channel (ASIC) 1a. Journal of Chemical Information and Modeling, 56 (1), 127-138. doi: 10.1021/acs.jcim.5b00529 |
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2015 Journal Article Effect of Ring Size in ω-Alicyclic Fatty Acids on the Structural and Dynamical Properties Associated with Fluidity in Lipid BilayersPoger, David and Mark, Alan E. (2015). Effect of Ring Size in ω-Alicyclic Fatty Acids on the Structural and Dynamical Properties Associated with Fluidity in Lipid Bilayers. Langmuir, 31 (42), 11574-11582. doi: 10.1021/acs.langmuir.5b02635 |
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2015 Journal Article Molecular dynamics and functional studies define a hot spot of crystal contacts essential for PcTx1 inhibition of acid-sensing ion channel 1aSaez, Natalie J., Deplazes, Evelyne, Cristofori-Armstrong, Ben, Chassagnon, Irene R., Lin, Xiaozhen, Mobli, Mehdi, Mark, Alan E., Rash, Lachlan D. and King, Glenn F. (2015). Molecular dynamics and functional studies define a hot spot of crystal contacts essential for PcTx1 inhibition of acid-sensing ion channel 1a. British Journal of Pharmacology, 172 (20), 4985-4995. doi: 10.1111/bph.13267 |
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2015 Journal Article Binding of starch fragments to the starch branching enzyme: implications for developing slower-digesting starchGo, Rob Marc, Mark, Alan E., Malde, Alpeshkumar K. and Gilbert, Robert G. (2015). Binding of starch fragments to the starch branching enzyme: implications for developing slower-digesting starch. Biomacromolecules, 16 (8), 2475-2481. doi: 10.1021/acs.biomac.5b00710 |
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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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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 |
