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2018 Conference Publication Understanding how antimicrobial peptides interact with membranesvan den Bergen, Glen and Mark, Alan (2018). Understanding how antimicrobial peptides interact with membranes. HOBOKEN: WILEY. |
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2018 Conference Publication Multiple-choice knapsack for assigning partial atomic charges in drug-like moleculesEngler, Martin S., Caron, Bertrand, Veen, Lourens, Geerke, Daan P., Mark, Alan E. and Klau, Gunnar W. (2018). Multiple-choice knapsack for assigning partial atomic charges in drug-like molecules. 18th International Workshop on Algorithms in Bioinformatics (WABI 2018), Helsinki, Finland, 20-22 August 2018. Wadern, Germany: Schloss Dagstuhl. doi: 10.4230/LIPIcs.WABI.2018.16 |
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2018 Conference Publication The use of peptide-membrane interactions in the design of selective and potent sodium channel inhibitorsSchroeder, Christina, Agwa, Akello, Mueller, Alexander, Chow, Chun Yuen, Peigneur, Steve, Lawrence, Nicole, Deplazes, Evelyne, Mark, Alan, Craik, David, Tytgat, Jan, King, Glenn, Vetter, Irina and Henriques, Sonia Troeira (2018). The use of peptide-membrane interactions in the design of selective and potent sodium channel inhibitors. 35th European Peptide Symposium, Dublin City University, Ireland, 26-31 August 2018. Oxford, United Kingdom: John Wiley & Sons. |
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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 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 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 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 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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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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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. PHILADELPHIA: TAYLOR & FRANCIS INC. doi: 10.1080/07391102.2015.1032811 |
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2015 Conference Publication 179 Validation of ligands in X-ray crystal structuresMalde, Alpeshkumar K. and Mark, Alan E. (2015). 179 Validation of ligands in X-ray crystal structures. The 19th Conversation, Albany/State University of New York, 9-13 June 2015. New York, NY 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 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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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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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 Conference Publication Understanding the Induction and Stabilization of Transmembrane Pores by PeptidesMark, Alan E. (2013). Understanding the Induction and Stabilization of Transmembrane Pores by Peptides. 57th Annual Meeting of the Biophysical Society, Philadelphia Pa, 02-06 February 2013. Maryland Heights, MO United States: Cell Press. doi: 10.1016/j.bpj.2012.11.3335 |
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2012 Conference Publication Charge group partitioning in biomolecular simulationCanzar, Stefan, El-Kebir, Mohammed, Pool, Rene, Elbassioni, Khaled, Malde, Alpesh K., Mark, Alan E., Geerke, Daan P., Stougie, Leen and Klau, Gunnar W. (2012). Charge group partitioning in biomolecular simulation. 16th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2012, Barcelona, Spain, 21 - 24 April 2012. Heidelberg, Germany: Springer. doi: 10.1007/978-3-642-29627-7_3 |
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2009 Conference Publication Dengue viral envelope protein and histidine protonationYennamalli, RM, Kobe, B, Mark, AE, Young, PR and Subbarao, N (2009). Dengue viral envelope protein and histidine protonation. XVIII National Conference of Indian Virological Society, Post Graduate Institute of Medical Education and Research, Chandigarh, India., 11–13 December 2008. HISAR: Indian Virological Society. |
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2007 Conference Publication Molecular dynamics simulations of toroidal pores formed by antimicrobial peptidesSengupta, D., Leontiadou, H., Mark, A. E. and Marrink, S. J. (2007). Molecular dynamics simulations of toroidal pores formed by antimicrobial peptides. Biophysical Society 51st Annual Meeting, Bethesda, MA, 3-7 March 2007. Bethesda, USA: Cell Press. |
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2006 Conference Publication The mechanism of vira membrane fusion and identification of novel antiviral lead compoundsKampmann, T., Muller,, Robinson, J., Mark, A, Young, P R and Kobe, B (2006). The mechanism of vira membrane fusion and identification of novel antiviral lead compounds. 31st Lorne Conference on Protein Structure & Function, Lorne, Victoria, Australia, 5-9 Feb, 2006. |
