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2017 Journal Article Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode filmsTonnelé, Claire, Stroet, Martin, Caron, Bertrand, Clulow, Andrew J., Nagiri, Ravi C. R., Malde, Alpeshkumar K., Burn, Paul L., Gentle, Ian R., Mark, Alan E. and Powell, Benjamin J. (2017). Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films. Angewandte Chemie, 129 (29), 8522-8526. doi: 10.1002/ange.201610727 |
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2017 Conference Publication Enumerating common molecular substructuresEngler, Martin S., El-Kebir, Mohammed, Mulder, Jelmer, Mark, Alan E., Geerke, Daan P. and Klau, Gunnar W. (2017). Enumerating common molecular substructures. German Conference on Bioinformatics, GCB 2017, Tubingen, Germany, 18-21 September 2017. Tubingen, Germany: Gesellschaft fur Informatik. doi: 10.7287/peerj.preprints.3250v1 |
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2016 Journal Article Deriving structural information from experimentally measured data on biomoleculesvan Gunsteren, Wilfred F., Allison, Jane R., Daura, Xavier, Dolenc, Jožica, Hansen, Niels, Mark, Alan E., Oostenbrink, Chris, Rusu, Victor H. and Smith, Lorna J. (2016). Deriving structural information from experimentally measured data on biomolecules. Angewandte Chemie International Edition, 55 (52), 15990-16010. doi: 10.1002/anie.201601828 |
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2016 Journal Article Bestimmung von strukturinformation aus experimentellen messdaten für biomolekülevan Gunsteren, Wilfred F., Allison, Jane R., Daura, Xavier, Dolenc, Jožica, Hansen, Niels, Mark, Alan E., Oostenbrink, Chris, Rusu, Victor H. and Smith, Lorna J. (2016). Bestimmung von strukturinformation aus experimentellen messdaten für biomoleküle. Angewandte Chemie, 128 (52), 16222-16244. doi: 10.1002/ange.201601828 |
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2016 Journal Article The CC domain structure from the wheat stem rust resistance protein Sr33 challenges paradigms for dimerization in plant NLR proteinsCasey, Lachlan W., Lavrencic, Peter, Bentham, Adam R., Cesari, Stella, Ericsson, Daniel J., Croll, Tristan, Turk, Dušan, Anderson, Peter A., Mark, Alan E., Dodds, Peter N., Mobli, Mehdi, Kobe, Bostjan and Williams, Simon J. (2016). The CC domain structure from the wheat stem rust resistance protein Sr33 challenges paradigms for dimerization in plant NLR proteins. Proceedings of the National Academy of Sciences, 113 (45), 12856-12861. doi: 10.1073/pnas.1609922113 |
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2016 Journal Article Interaction of tarantula venom peptide ProTx-II with lipid membranes is a prerequisite for its inhibition of human voltage-gated sodium channel NaV1.7Troeira Henriques, Sonia, Deplazes, Evelyne, Lawrence, Nicole, Cheneval, Olivier, Chaousis, Stephanie, Inserra, Marco, Thongyoo, Panumart, King, Glenn F., Mark, Alan E., Vetter, Irina, Craik, David J. and Schroeder, Christina Ingrid (2016). Interaction of tarantula venom peptide ProTx-II with lipid membranes is a prerequisite for its inhibition of human voltage-gated sodium channel NaV1.7. The Journal of Biological Chemistry, 291 (33), 17049-17065. doi: 10.1074/jbc.M116.729095 |
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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 Conference Publication Membrane-binding properties of gating-modifier and pore blocking toxins: membrane interaction is not a prerequisite for modification of channel gatingDeplazes, Evelyne, Henriques, Sonia Troeira, 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. 60th Annual Meeting of the Biophysical-Society, Los Angeles, United States, February 27- March 2 2016. St Louis, United States: Cell Press. doi: 10.1016/j.bpj.2015.11.220 |
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2016 Conference Publication Mechanism of JAK2 Activation by the Archetype Class I Cytokine Receptor, the Growth Hormone ReceptorBrooks, Andrew J., O’Mara, Megan L., Dai, Wei, Abankwa, Daniel, Chhabra, Yash, Tunny, Kathryn A., Parker, Michael W., Sierecki, Emma, Gambin, Yann, Gomez, Guillermo A., Haxholm, Gitte W., Nikolajsen, Louise F., Doxastakis, Manolis, Mark, Alan E. and Waters, Michael J. (2016). Mechanism of JAK2 Activation by the Archetype Class I Cytokine Receptor, the Growth Hormone Receptor. Biophysical Meeting, Los Angeles, CA, United States, 27 February - 2 March 2016. CAMBRIDGE: CELL PRESS. doi: 10.1016/j.bpj.2015.11.233 |
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2016 Conference Publication Going downstream - how does GH binding activate JAK2Brooks, Andrew, Dai, W., O'Mara, M. L., Abankwa, D., Chhabra, Y., Pelekanos, R. A., Gardon, O., Tunny, K. A., Blucher, K. M., Morton, C. J., Parker, M. W., Sierecki, E., Gambin, Y., Gomez, G. A., Alexandrov, K., Wilson, I. A., Doxastakis, M., Mark, A. E. and Waters, M. J. (2016). Going downstream - how does GH binding activate JAK2. Annual Scientific Meeting of the Endocrine Society of Australia, Adelaide, Australia, 23-26 August, 2015. Chichester, West Sussex, United Kingdom: Wiley-Blackwell Publishing. doi: 10.1111/cen.13010 |
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2016 Conference Publication A cytokine receptor revolution: activation of the Type-I Cytokine Receptors via protomer rotationCorbett, Michael, Poger, David and Mark, Alan E. (2016). A cytokine receptor revolution: activation of the Type-I Cytokine Receptors via protomer rotation. 60th Annual Meeting of the Biophysical Society, Los Angeles, CA, United States, 27 February- 2 March 2016. St. Louis, MO, United States: Cell Press. doi: 10.1016/j.bpj.2015.11.3161 |
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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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2016 Conference Publication On the Combination of Restraint-Driven Docking of Flexible Peptides to Ion Channels - Lessons Learnt from the Complex Formed by the Spider Venom PcTx1 and the Acid Sensing Ion Channel1Deplazes, Evelyne, Davies, Josephine, Bonvin, Alexandre M. J. J. and Mark, Alan E. (2016). On the Combination of Restraint-Driven Docking of Flexible Peptides to Ion Channels - Lessons Learnt from the Complex Formed by the Spider Venom PcTx1 and the Acid Sensing Ion Channel1. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, United States, February 27- March 2 2016. St Louis, United States: Cell Press. doi: 10.1016/j.bpj.2015.11.2872 |
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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 |
