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Birgit Schiøtt

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  1. 2023
  2. Published
    Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces. / Roeters, Steven J; Strunge, Kris; Pedersen, Kasper B et al.
    In: Nature Communications, Vol. 14, No. 1, 5731, 09.2023.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  3. Published
    Structure and sucrose binding mechanism of the plant SUC1 sucrose transporter. / Bavnhøj, Laust; Driller, Jan Heiner; Zuzic, Lorena et al.
    In: Nature Plants, Vol. 9, No. 6, 06.2023, p. 938-950.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  4. Published
    Inhibited complete folding of consecutive human telomeric G-quadruplexes. / Kristoffersen, Emil Laust; Coletta, Andrea; Lund, Line Mørkholt et al.
    In: Nucleic Acids Research, Vol. 51, No. 4, 02.2023, p. 1571-1582.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  5. Published
    Inhibitory effects of fluorinated benzenesulfonamides on insulin fibrillation. / Alijanvand, Saeid Hadi; Ladefoged, Lucy Kate; Zubrienė, Asta et al.
    In: International Journal of Biological Macromolecules, Vol. 227, 02.2023, p. 590-600.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  6. Published
    Sweet and sour transport: Simulation insights into H+/sugar symport in plants. / Zuzic, Lorena; Stange, Amanda D.; Bavnhøj, Laust et al.
    In: Biophysical Journal, Vol. 122, No. 3S1, 02.2023, p. 197a.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  7. Published
    Predicting molecular properties of α-synuclein using force fields for intrinsically disordered proteins. / Pedersen, Kasper B.; Flores-Canales, Jose C.; Schiøtt, Birgit.
    In: Proteins: Structure, Function and Bioinformatics, Vol. 91, No. 1, 01.2023, p. 47-61.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  8. 2022
  9. Published
    Lipid Modulation of a Class B GPCR: Elucidating the Modulatory Role of PI(4,5)P2 Lipids. / Kjølbye, Lisbeth R.; Sørensen, Lars; Yan, Jun et al.
    In: Journal of Chemical Information and Modeling, Vol. 62, No. 24, 12.2022, p. 6788-6802.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  10. Published
    Potentiation of Drug Toxicity through Virus Latency Reversal Promotes Preferential Elimination of HIV Infected Cells. / Truong, Thanh Tung; Hayn, Manuel; Frich, Camilla Kaas et al.
    In: Advanced Therapeutics, Vol. 5, No. 11, 2200113, 11.2022.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  11. Published
    Binding and Activation of Serotonergic G-Protein Coupled Receptors by the Multimodal Antidepressant Vortioxetine. / Ladefoged, Lucy Kate; Koch, Rebekka; Biggin, Philip C. et al.
    In: ACS Chemical Neuroscience, Vol. 13, No. 8, 04.2022, p. 1129-1142.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  12. 2021
  13. Published
    Interaction of Amyloid-β-(1-42) Peptide and Its Aggregates with Lipid/Water Interfaces Probed by Vibrational Sum-Frequency Generation Spectroscopy. / Strazdaite, S.; Roeters, S. J.; Sakalauskas, A. et al.
    In: Journal of Physical Chemistry B, Vol. 125, No. 40, 10.2021, p. 11208-11218.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  14. Published
    Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H+ symporter STP10. / Bavnhøj, Laust; Paulsen, Peter Aasted; Flores-Canales, Jose C. et al.
    In: Nature Plants, Vol. 7, No. 10, 10.2021, p. 1409-1419.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  15. Published
    General Protocol for Constructing Molecular Models of Nanodiscs. / Kjølbye, Lisbeth R.; De Maria, Leonardo; Wassenaar, Tsjerk A. et al.
    In: Journal of Chemical Information and Modeling, Vol. 61, No. 6, 06.2021, p. 2869-2883.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  16. Published
    Effect of cholesterol on the dimerization of C99—A molecular modeling perspective. / Stange, Amanda Dyrholm; Hsu, Jenny Pin Chia; Ravnkilde, Lisbeth Kjølbye et al.
    In: Biointerphases, Vol. 16, No. 3, 031002, 05.2021.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  17. Published
    The Effect of Cholesterol on Membrane-Bound Islet Amyloid Polypeptide. / Christensen, Mikkel; Berglund, Nils A.; Schiøtt, Birgit.
    In: Frontiers in Molecular Biosciences, Vol. 8, 657946, 04.2021.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  18. Published
    Beneficent and Maleficent Effects of Cations on Bufadienolide Binding to Na+,K+-ATPase. / Ladefoged, Lucy Kate; Schiøtt, Birgit; Fedosova, Natalya.
    In: Journal of Chemical Information and Modeling, Vol. 61, No. 2, 02.2021, p. 976-986.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  19. Published
    Effect of palmitoylation on the dimer formation of the human dopamine transporter. / Zeppelin, Talia; Pedersen, Kasper B.; Berglund, Nils A. et al.
    In: Scientific Reports, Vol. 11, No. 1, 4164, 02.2021.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  20. 2020
  21. Published
    Simulating Multiple Substrate-Binding Events by γ-Glutamyltransferase Using Accelerated Molecular Dynamics. / Oliva, Francesco; Flores-Canales, Jose C.; Pieraccini, Stefano et al.
    In: Journal of Physical Chemistry B, Vol. 124, No. 45, 11.2020, p. 10104-10116.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  22. Published
    Capturing Biologically Complex Tissue-Specific Membranes at Different Levels of Compositional Complexity. / Ingólfsson, Helgi I.; Bhatia, Harsh; Zeppelin, Talia et al.
    In: The journal of physical chemistry. B, Vol. 124, No. 36, 09.2020, p. 7819-7829.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  23. Published
    A Photoswitchable Inhibitor of the Human Serotonin Transporter. / Cheng, Bichu; Morstein, Johannes; Ladefoged, Lucy Kate et al.
    In: ACS Chemical Neuroscience, Vol. 11, No. 9, 05.2020, p. 1231-1237.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Letter › peer-review

  24. Published
    Novel noscapine derivatives stabilize the native state of insulin against fibrillation. / Alijanvand, Saeid Hadi; Christensen, Mikkel Hovden; Christiansen, Gunna et al.
    In: International Journal of Biological Macromolecules, Vol. 147, 03.2020, p. 98-108.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  25. Published
    Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations. / Bengtsen, Tone; Holm, Viktor L.; Kjølbye, Lisbeth Ravnkilde et al.
    In: eLife, Vol. 9, e56518, 2020, p. 1-24.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  26. 2019
  27. Published
    Conformational changes in the 5-HT3A receptor extracellular domain measured by voltage-clamp fluorometry. / Munro, Lachlan; Ladefoged, Lucy Kate; Padmanathan, Vithushan et al.
    In: Molecular Pharmacology, Vol. 96, No. 6, 12.2019, p. 720-734.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  28. Published
    Substrate and inhibitor binding to the serotonin transporter: Insights from computational, crystallographic, and functional studies. / Zeppelin, Talia; Ladefoged, Lucy Kate; Sinning, Steffen et al.
    In: Neuropharmacology, Vol. 161, 107548, 12.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Review › Research › peer-review

  29. Published
    Revealing a Dual Role of Ganglioside Lipids in the Aggregation of Membrane-Associated Islet Amyloid Polypeptide. / Christensen, Mikkel; Schiøtt, Birgit.
    In: Journal of Membrane Biology, Vol. 252, No. 4-5, 10.2019, p. 343-356.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  30. Published
    Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation. / Kjolbye, Lisbeth Ravnkilde; Laustsen, Anne; Vestergaard, Mikkel et al.
    In: Journal of Chemical Information and Modeling, Vol. 59, No. 5, 05.2019, p. 1977-1987.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  31. Published
    Molecular modeling of neurological membrane proteins − from binding sites to synapses. / Ladefoged, Lucy Kate; Zeppelin, Talia; Schiøtt, Birgit.
    In: Neuroscience Letters, Vol. 700, 05.2019, p. 38-49.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  32. Published
    Molecular Insight into the Agonist Properties of the Multimodal Antidepressant Vortioxetine in Human 5-HT3A Receptors. / Thøgersen, Lucy Kate Ladefoged; Schiøtt, Birgit; Munro, Lachlan Jake et al.
    2019. 479A.

    Research output: Contribution to conference › Conference abstract for conference › Research

  33. Published
    Structure and Dynamics of Cinnamycin-Lipid Complexes: Mechanisms of Selectivity for Phosphatidylethanolamine Lipids. / Vestergaard, Mikkel; Berglund, Nils Anton; Hsu, Pin Chia et al.
    In: ACS Omega, Vol. 4, No. 20, 2019, p. 18889-18899.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  34. 2018
  35. Published
    Dimer Interface of the Human Serotonin Transporter and Effect of the Membrane Composition. / Periole, Xavier; Zeppelin, Talia; Schiøtt, Birgit.
    In: Scientific Reports, Vol. 8, No. 1, 22912, 01.12.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  36. Published
    Insight into the molecular mechanism behind PEG-mediated stabilization of biofluid lipases. / Pérez, Bianca; Coletta, Andrea; Pedersen, Jannik N. et al.
    In: Scientific Reports, Vol. 8, No. 1, 12293, 01.12.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  37. Published
    Modeling and mutational analysis of the binding mode for the multimodal antidepressant drug vortioxetine to the human 5-HT3A receptor. / Ladefoged, Lucy Kate; Munro, Lachlan Jake; Juel Pedersen, Anders et al.
    In: Molecular Pharmacology, Vol. 94, No. 6, 01.12.2018, p. 1421-1434.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  38. Published
    Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology. / Friedman, Ran; Khalid, Syma; Aponte-Santamaría, Camilo et al.
    In: Journal of Membrane Biology, Vol. 251, No. 5-6, 01.12.2018, p. 609-631.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Review › Research › peer-review

  39. Published
    Cholesterol binding to a conserved site modulates conformation, pharmacology and transport kinetics of the human serotonin transporter. / Laursen, Louise; Kristensen, Kristina Birch; Periole, Xavier et al.
    In: Journal of Biological Chemistry, Vol. 293, No. 10, 03.2018, p. 3510-3523.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  40. Published
    A direct interaction of cholesterol with the dopamine transporter prevents its out-to-inward transition. / Zeppelin, Talia; Ladefoged, Lucy Kate; Sinning, Steffen et al.
    In: PLOS Computational Biology, Vol. 14, No. 1, e1005907, 01.01.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  41. Published
    On the effect of mutations in bovine or camel chymosin on the thermodynamics of binding κ-caseins. / Ansari, Samiul M.; Sørensen, Jesper; Schiøtt, Birgit et al.
    In: Proteins: Structure, Function and Bioinformatics, Vol. 86, No. 1, 01.01.2018, p. 75-87.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  42. 2017
  43. Published
    Identification of Key Interactions in the Initial Self-Assembly of Amylin in a Membrane Environment. / Christensen, Mikkel; Skeby, Katrine K.; Schiott, Birgit.
    In: Biochemistry, Vol. 56, No. 36, 12.09.2017, p. 4884-4894.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  44. Published
    Simulations of membrane-bound diglycosylated human prion protein reveal potential protective mechanisms against misfolding. / Cheng, Chin Jung; Koldso, Heidi; Van der Kamp, Marc W. et al.
    In: Journal of Neurochemistry, Vol. 142, No. 1, 07.2017, p. 171-182.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  45. Published
    How a short pore forming peptide spans the lipid membrane. / Vestergaard, Mikkel; Christensen, Mikkel; Hansen, Sara K. et al.
    In: Biointerphases, Vol. 12, No. 2, 02D405, 06.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  46. Published
    Ligand Binding in the Extracellular Vestibule of the Neurotransmitter Transporter Homologue LeuT. / Grouleff, Julie; Koldsø, Heidi; Miao, Yinglong et al.
    In: ACS Chemical Neuroscience, Vol. 8, No. 3, 15.03.2017, p. 619-628.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  47. Published
    Mapping Cholesterol Binding Sites on the Human Dopamine Trapnsporter. / Zeppelin, Talia; Periole, Xavier; Schiott, Birgit.
    In: Biophysical Journal, Vol. 112, No. 3, 03.02.2017, p. 339A-339A.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Conference abstract in journal › Research › peer-review

  48. Published
    The reactive center loop insertion in α-1-antitrypsin captured by accelerated molecular dynamics simulation. / Andersen, Ole Juul; Risør, Michael Wulff; Poulsen, Emil Christian et al.
    In: Biochemistry, Vol. 56, No. 4, 2017, p. 634-646.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  49. 2016
  50. Published
    Interrogating the Molecular Basis for Substrate Recognition in Serotonin and Dopamine Transporters with High-Affinity Substrate-Based Bivalent Ligands. / Andersen, Jacob; Ladefoged, Lucy Kate; Kristensen, Trine N. Bjerre et al.
    In: ACS Chemical Neuroscience, Vol. 7, No. 10, 10.2016, p. 1406-1417.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  51. Published
    The molecular mechanism for overcoming the ratelimiting step in monoamine neurotransmitter transport. / Said, Saida; Malinauskaite, Lina; Grouleff, Julie et al.
    2016. Poster session presented at Årsmøde for Dansk Selskab for Farmakologi, Toksikologi og Medicinalkemi, Sandbjerg, Denmark.

    Research output: Contribution to conference › Poster › Research

  52. Published
    The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. / Sinning, Steffen; Said, Saida; Malinauskaite, Lina et al.
    2016. Poster session presented at 9th SFB35 Symposium, Wien, Austria.

    Research output: Contribution to conference › Poster › Research

  53. Published
    The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. / Sinning, Steffen; Said, Saida; Malinauskaite, Lina et al.
    2016. Poster session presented at Gordon Research Conferenc, Barga, Italy.

    Research output: Contribution to conference › Poster › Research

  54. Published
    In Vitro Effects of the Endocrine Disruptor p,p '-DDT on Human Follitropin Receptor. / Munier, Mathilde; Grouleff, Julie; Gourdin, Louis et al.
    In: Environmental Health Perspectives, Vol. 124, No. 7, 07.2016, p. 991-999.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  55. Published
    Structural basis for simvastatin competitive antagonism of complement receptor 3. / Jensen, Maria Risager; Bajic, Goran; Zhang, Xianwei et al.
    In: Journal of Biological Chemistry, Vol. 291, No. 33, 23.06.2016, p. 16963-16976.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  56. Published
    Synthesis and inhibitory evaluation of 3-linked imipramines for the exploration of the S2 site of the human serotonin transporter. / Brinkø, Anne; Larsen, Maja Thim; Koldsø, Heidi et al.
    In: Bioorganic & Medicinal Chemistry, Vol. 24, No. 12, 21.04.2016, p. 2725-2738.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  57. Published
    Probing the Folding Dynamics of Human Telomeric G-Quadruplex with Single-Molecule FRET. / Aznauryan, Mikayel; Sondergaard, Siri; Noer, Sofie et al.
    In: Biophysical Journal, Vol. 110, No. 3, 16.02.2016, p. 406A-406A.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Conference abstract in journal › Research

  58. Published
    Mutants and molecular dockings reveal that the primary L-thyroxine binding site in human serum albumin is not the one which can cause familial dysalbuminemic hyperthyroxinemia. / Kragh-Hansen, Ulrich; Minchiotti, Lorenzo; Coletta, Andrea et al.
    In: B B A - General Subjects, Vol. 1860, No. 4, 08.01.2016, p. 648-660.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  59. Published
    A Conserved Leucine Occupies the Empty Substrate Site of LeuT in the Na+-free Return State. / Malinauskaite, Lina; Said, Saida; Sahin, Caglanur et al.
    In: Nature Communications, Vol. 7, No. 1, 11673, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  60. Published
    A direct view of the complex multi-pathway folding of telomeric G-quadruplexes. / Aznauryan, Mikayel; Søndergaard, Siri; Noer, Sofie Louise et al.
    In: Nucleic Acids Research, Vol. 44, No. 22, 2016, p. 11024-11032.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  61. Published
    Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations. / Ansari, Samiul M; Coletta, Andrea; Skeby, Katrine Kirkeby et al.
    In: The Journal of Physical Chemistry Part B, Vol. 120, No. 40, 2016, p. 10453-10462.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  62. Published
    Conformational Dynamics of the Human Islet Amyloid Polypeptide in a Membrane Environment: Toward the Aggregation Prone Form. / Skeby, Katrine Kirkeby; Andersen, Ole Juul; Pogorelov, Taras V. et al.
    In: Biochemistry, Vol. 55, No. 13, 2016, p. 2031-2042.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  63. 2015
  64. Published
    Bicelles and Other Membrane Mimics: Comparison of Structure, Properties, and Dynamics from MD Simulations. / Vestergaard, Mikkel; Kraft, Johan Frederik; Vosegaard, Thomas et al.
    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 119, No. 52, 26.11.2015, p. 15831-15843.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  65. Published
    Monoamine transporters: insights from molecular dynamics simulations. / Grouleff, Julie; Ladefoged, Lucy Kate; Koldso, Heidi et al.
    In: Frontiers in Pharmacology, Vol. 6, 235, 16.10.2015.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  66. Published
    Insights to ligand binding to the monoamine transporters-from homology modeling to LeuBAT and dDAT. / Koldsø, Heidi; Grouleff, Julie; Schiøtt, Birgit.
    In: Frontiers in Pharmacology, Vol. 6, 208, 24.09.2015.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  67. Published
    The influence of cholesterol on membrane protein structure, function, and dynamics studied by molecular dynamics simulations. / Grouleff, Julie; Irudayam, Sheeba Jem; Skeby, Katrine Kirkeby et al.
    In: B B A - Biomembranes, Vol. 1848, No. 9, 09.2015, p. 1783-1795.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Review › Research › peer-review

  68. Published
    Early Events in the Amyloid Formation of the A546T Mutant of Transforming Growth Factor Beta Induced Protein (TGFBIp) in Corneal Dystrophies Compared to the Non-Fibrillating R555W and R555Q Mutants. / Koldsø, Heidi; Andersen, Ole Juul; Nikolajsen, Camilla Lund et al.
    In: Biochemistry, Vol. 54, No. 36, 25.08.2015, p. 55546-5556.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  69. Published
    Dynamics of Fluorescent Dyes Attached to G-Quadruplex DNA and their Effect on FRET Experiments. / Søndergaard, Siri; Aznauryan, Mikayel; Haustrup, Emil K. et al.
    In: ChemPhysChem, Vol. 16, No. 12, 24.08.2015, p. 2562-2570.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  70. Published
    Properties of an Inward-Facing State of LeuT: Conformational Stability and Substrate Release. / Grouleff, Julie; Sondergaard, Siri; Koldso, Heidi et al.
    In: Biophysical Journal, Vol. 108, No. 6, 24.03.2015, p. 1390-1399.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  71. Published
    Binding of the Multimodal Antidepressant Drug Vortioxetine to the Human Serotonin Transporter. / Andersen, Jacob; Ladefoged, Lucy Kate; Wang, Danyang et al.
    In: A C S Chemical Neuroscience, Vol. 6, No. 11, 2015, p. 1892-1900.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  72. 2014
  73. Published
    The Importance of Being Capped: Terminal Capping of an Amyloidogenic Peptide Affects Fibrillation Propensity and Fibril Morphology. / Andreasen, Maria; Skeby, Katrine Kirkeby; Zhang, Shuai et al.
    In: Biochemistry, Vol. 53, No. 44, 21.10.2014, p. 6968-6980.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  74. Published
    Thermodynamic and structural investigation of the specific SDS binding of humicola insolens cutinase. / Kold, Daniel; Dauter, Zbigniew; Laustsen, Anne et al.
    In: Protein Science, Vol. 23, No. 8, 08.2014, p. 1023-1035.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  75. Published
    Molecular basis for selective serotonin reuptake inhibition by the antidepressant agent fluoxetine (Prozac). / Andersen, Jacob; Stuhr-Hansen, Nicolai; Zachariassen, Linda Grønborg et al.
    In: Molecular Pharmacology, Vol. 85, No. 5, 01.05.2014, p. 703-714.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  76. Published
    Binding of Mazindol and Analogs to the human Serotonin and Dopamine Transporters. / Severinsen, Kasper; Koldso, Heidi; Thorup, Katrine Almind Vinberg et al.
    In: Molecular Pharmacology, Vol. 85, No. 2, 02.2014, p. 208-17.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  77. Published
    Binding modes of a novel antidepressant to the human serotonin transporter. / Ladefoged, Lucy Kate; Schiøtt, Birgit.
    2014. Poster session presented at 12th iNANO annual meeting, Aarhus, Denmark.

    Research output: Contribution to conference › Poster › Communication

  78. Published
    Binding-Induced Fluorescence of Serotonin Transporter Ligands: A Spectroscopic and Structural Study of 4-(4-(Dimethylamino)phenyl)-1-methylpyridinium (APP+) and APP+ Analogues. / Wilson, James; Ladefoged, Lucy Kate; Babinchak, Michael et al.
    In: A C S Chemical Neuroscience, Vol. 5, No. 4, 01.2014, p. 296-304.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  79. Published
    Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations. / Hansen, Sara Krogh; Vestergaard, Mikkel; Thøgersen, Lea et al.
    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 118, No. 19, 2014, p. 5119-5129.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  80. 2013
  81. Published
    Dansk studerende rydder forsiden af amerikansk kemi-tidsskrift. / Skeby, Katrine Kirkeby; Schiøtt, Birgit.
    In: Videnskab.dk, 09.11.2013.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Communication

  82. Published
    Comparative Modelling of the Human Monoamine Transporters. / Koldsø, Heidi; B. Christiansen, Anja; Sinning, Steffen et al.
    In: A C S Chemical Neuroscience, Vol. 4, 24.10.2013, p. 295-309.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  83. Published
    Mutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilization. / Underhaug, Jarl; Koldsø, Heidi; Runager, Kasper et al.
    In: BBA General Subjects, Vol. 1834, No. 12, 12.10.2013, p. 2812–2822.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  84. Published
    Binding of fluorescent neurotransmitter analogs to the human serotonin transporter explored using molecular mechanics. / Ladefoged, Lucy Kate; Schiøtt, Birgit; Wilson, James et al.
    2013. Poster session presented at Biology & chemistry computational research, San Diego, CA, United States.

    Research output: Contribution to conference › Poster › Communication

  85. Published
    Identification of a Common Binding Mode for Imaging Agents to Amyloid Fibrils from Molecular Dynamics Simulations. / Skeby, Katrine Kirkeby; Sørensen, Jesper; Schiøtt, Birgit.
    In: Journal of the American Chemical Society, Vol. 135, No. 40, 16.07.2013, p. 15114–15128.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  86. Published
    Ion Pathways in the Sarcoplasmic Reticulum Ca2+-ATPase. / Bublitz, Maike; Musgaard, Maria; Poulsen, Hanne et al.
    In: Journal of Biological Chemistry, Vol. 288, 12.04.2013, p. 10759-10765.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  87. Published
    Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase. / Paulsen, Eleonora S; Villadsen, Jesper; Tenori, Eleonora et al.
    In: Journal of Medicinal Chemistry, Vol. 56, No. 9, 04.2013, p. 3609-3619.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  88. Published
    Conformational Stability and Substrate Translocation: A Computational Study of the Leucine Transporter. / Grouleff, Julie; Søndergaard, Siri; Schiøtt, Birgit.
    In: Biophysical Journal, Vol. 104, No. 2, 2013, p. 407a-408b.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  89. Published
    Cover art in JACS, October 9th 2013. Schiøtt, Birgit (Producer); Skeby, Katrine Kirkeby (Producer). 2013. American Chemical Society.

    Research output: Non-textual form › 2D/3D (psysical products) › Research › peer-review

  90. Published
    Hot-Spot Mapping the Interactions between Chymosin and Bovine κ-Casein. / Sørensen, Jesper; Palmer, David S.; Schiøtt, Birgit.
    In: Journal of Agricultural and Food Chemistry, Vol. 61, No. 33, 2013, p. 7949-7959 .

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  91. Published
    JACS Cover Art Podcast #46. Schiøtt, Birgit (Producer); Skeby, Katrine Kirkeby (Producer). 2013. American Chemical Society.

    Research output: Non-textual form › Pictures, Video and sound recordings (digital) › Research › peer-review

  92. Published
    Ligand induced conformational changes of the human serotonin transporter revealed by molecular dynamics simulations. / Koldsø, Heidi; Autzen, Henriette Elisabeth; Grouleff, Julie et al.
    In: P L o S One, Vol. 8, No. 6, e63635, 2013.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  93. Published
    Solvent Binding Analysis and Computational Alanine Scanning of the Bovine Chymosin-Bovine κ-Casein Complex Using Molecular Integral Equation Theory. / Palmer, D.S.; Sørensen, J.; Schiøtt, B. et al.
    In: Journal of Chemical Theory and Computation, Vol. 9, No. 12, 2013, p. 5706-5717.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  94. 2012
  95. Published
    Modeling the Self-assembly and Stability of DHPC Micelles using Atomic Resolution and Coarse Grained MD Simulations. / Kraft, Johan Frederik; Vestergaard, Mikkel; Schiøtt, Birgit et al.
    In: Journal of Chemical Theory and Computation, Vol. 8, No. 5, 10.03.2012, p. 1556–1569.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  96. Published
    Binding of the Amphetamine-like 1-Phenyl-piperazine to Monoamine Transporters. / Severinsen, Kasper; Kraft, Johan F; Koldsø, Heidi et al.
    In: A C S Chemical Neuroscience, Vol. 3, No. 9, 2012, p. 693-705.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  97. Published
    Tracing Cytoplasmic Ca2+ Ion and Water Access Points in the Ca2+-ATPase. / Musgaard, Maria; Thøgersen, Lea; Schiøtt, Birgit et al.
    In: Biophysical Journal, Vol. 102, No. 2, 2012, p. 268-277.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  98. Published
    Understanding the Phase Behavior of Coarse-Grained Model Lipid Bilayers Through Computational Calorimetry. / Rodgers, Jocelyn M.; Sørensen, Jesper; de Meyer, Frédérick J.-M. et al.
    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 116, No. 5, 2012, p. 1551-1569.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  99. 2011
  100. Published
    Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na+ ion release. / Koldsø, Heidi; Noer, Pernille Rimmer; Grouleff, Julie et al.
    In: P L o S Computational Biology (Online), Vol. 7, No. 10, 27.10.2011, p. e1002246.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  101. Published
    Anti-afhængighedsstoffet Ibogains binding til serotonintransporteren. / Martens, Pernille; Autzen, Henriette Elisabeth; Schiøtt, Birgit et al.
    2011. Poster session presented at Psykiatriens 6. Forskningsdag, Risskov, Denmark.

    Research output: Contribution to conference › Poster › Research

  102. Published
    Dynamics, Protein-Ligand Interactions, and Transport Pathway of the human Serotonin Transporter. / Koldsø, Heidi; Schiøtt, Birgit.
    2011. Poster session presented at Celebrating Computational Biology: A tribute to Frank Blaney, Oxford, United Kingdom.

    Research output: Contribution to conference › Poster › Research

  103. Published
    Initial Stage of Cheese Production: A Molecular Modeling Study of Bovine and Camel Chymosin Complexed with Peptides from the Chymosin-Sensitive Region of κ-Casein. / Sørensen, Jesper; Palmer, David S; Qvist, Karsten Bruun et al.
    In: Journal of Agricultural and Food Chemistry, Vol. 59, No. 10, 2011, p. 5636-47.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  104. Published
    Key residues controlling conformational transitions in the serotonin transporter. / Møller, Pernille Thornild; Severinsen, Kasper; Koldsø, Heidi et al.
    2011. Poster session presented at SFB 35 – Symposium: Transmembrane Transporters in Health and Disease 2011, Vienna, Austria, Wien, Austria.

    Research output: Contribution to conference › Poster › Research

  105. Published
    Molecular Docking with Ligand Attached Water Molecules. / Lie, Mette Alstrup; Thomsen, Rene; Pedersen, Christian Nørgaard Storm et al.
    In: Journal of Chemical Information and Modeling, Vol. 51, No. 4, 2011, p. 909-917.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  106. Published
    Mutual adaptation of a membrane protein and its lipid bilayer during conformational changes. / Sonntag, Yonathan; Musgaard, Maria; Olesen, Claus et al.
    In: Nature Communications, Vol. 2, 2011, p. 304.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  107. Published
    Protofibrillar assembly towards the formation of amyloid fibrils. / Sørensen, Jesper; Periole, Xavier; Skeby, Katrine Kirkeby et al.
    In: The Journal of Physical Chemistry Letters, Vol. 2, No. 19, 2011, p. 2385–2390.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Letter › peer-review

  108. Published
    Protonation States of Important Acidic Residues in the Central Ca2+ Ion Binding Sites of the Ca2+-ATPase: A Molecular Modeling Study. / Musgaard, Maria; Thøgersen, Lea; Schiøtt, Birgit.
    In: Biochemistry, Vol. 50, No. 51, 2011, p. 11109-11120.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  109. Published
    Synthesis of uronic-Noeurostegine –a potent bacterial β-glucuronidase inhibitor. / Rasmussen, Tina Secher; Koldsø, Heidi; Nakagawa, Shinpei et al.
    In: Organic & Biomolecular Chemistry, Vol. 9, 2011, p. 7807-7813.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  110. Published
    Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na(+) ion release. / Koldsø, Heidi; Noer, Pernille; Grouleff, Julie et al.
    In: P L o S Computational Biology, Vol. 7, No. 10, 2011, p. e1002246.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  111. 2010
  112. Published
    Conformational Flexibility of Chitosan: A Molecular Modeling Study. / Skovstrup, Søren; Hansen, Signe Grann; Skrydstrup, Troels et al.
    In: Biomacromolecules, Vol. 11, No. 11, 20.10.2010, p. 3196-3207.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  113. Published
    Binding and Orientation of Tricyclic Antidepressants within the Central Substrate Site of the Human Serotonin Transporter. / Sinning, Steffen; Musgaard, Maria; Jensen, Marie et al.
    In: Journal of Biological Chemistry, Vol. 285, No. 11, 2010, p. 8363-8374.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  114. Published
    Bovine Chymosin: A Computational Study of Recognition and Binding of Bovine κ-Casein. / Palmer, David S.; Christensen, Anders Uhrenholt; Sørensen, Jesper et al.
    In: Biochemistry, Vol. 49, 2010, p. 2563–2573.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

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