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Papers

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Periole, X., Zeppelin, T. & Schiøtt, B. (2018). Dimer Interface of the Human Serotonin Transporter and Effect of the Membrane Composition. Scientific Reports, 8(1), Article 22912. https://doi.org/10.1038/s41598-018-22912-7

Schiøtt, B. & Lie, M. A. (2008). DFT Study of Solvation Effects on the Tautomeric Equlibrium and Catalytic Ylide Generation of Thiamin Models. Journal of Computational Chemistry, 29, 1037-1047.

Skeby, K. K. & Schiøtt, B. (2013). Dansk studerende rydder forsiden af amerikansk kemi-tidsskrift. Videnskab.dk. http://videnskab.dk/teknologi/dansk-studerende-rydder-forsiden-af-amerikansk-kemi-tidsskrift

Pedersen, C. N., Yang, F., Ita, S., Xu, Y., Akunuri, R., Trampari, S., Neumann, C. M. T., Desdorf, L. M., Schiøtt, B., Salvino, J. M., Mortensen, O. V., Nissen, P. & Shahsavar, A. (2024). Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. Journal of Neurochemistry, 168(9), 2043-2055. https://doi.org/10.1111/jnc.16179

Schiøtt, B. & Skeby, K. K. (2013). Cover art in JACS, October 9th 2013. 2D/3D (psysical products), American Chemical Society. http://pubs.acs.org/action/showLargeCover?jcode=jacsat&vol=135&issue=40

Grouleff, J., Søndergaard, S. & Schiøtt, B. (2013). Conformational Stability and Substrate Translocation: A Computational Study of the Leucine Transporter. Biophysical Journal, 104(2), 407a-408b. https://doi.org/10.1016/j.bpj.2012.11.2272

Skovstrup, S., Hansen, S. G., Skrydstrup, T. & Schiøtt, B. (2010). Conformational Flexibility of Chitosan: A Molecular Modeling Study. Biomacromolecules, 11(11), 3196-3207. https://doi.org/10.1021/bm100736w

Skeby, K. K., Andersen, O. J., Pogorelov, T. V., Tajkhorshid, E. & Schiøtt, B. (2016). Conformational Dynamics of the Human Islet Amyloid Polypeptide in a Membrane Environment: Toward the Aggregation Prone Form. Biochemistry, 55(13), 2031-2042. https://doi.org/10.1021/acs.biochem.5b00507

Schiøtt, B., Celik, L. & Lund, J. D. D. (2007). Conformational dynamics of the estrogen receptor a: Influence of binding site structure on ptotein dynamics and biological function studied by MD simulations. Biochemistry, 46, 1743-1758.

Munro, L., Ladefoged, L. K., Padmanathan, V., Andersen, S., Schiøtt, B. & Kristensen, A. S. (2019). Conformational changes in the 5-HT_3A receptor extracellular domain measured by voltage-clamp fluorometry. Molecular Pharmacology, 96(6), 720-734. https://doi.org/10.1124/mol.119.116657

Koldsø, H., B. Christiansen, A., Sinning, S. & Schiøtt, B. (2013). Comparative Modelling of the Human Monoamine Transporters. ACS Chemical Neuroscience, 4, 295-309. https://doi.org/10.1021/cn300148r

Sørensen, J., Hamelberg, D., Schiøtt, B. & McCammon, J. A. (2007). Comparative MD analysis of the stability of transthyretin providing insight into the fibrillation mechanism. Biopolymers, 86(1), 73-82. https://doi.org/10.1002/bip.20705

Schiøtt, B., Lie, M. A., Celik, L. & Jørgensen, K. A. (2005). Cofactor Activation and Substrate Binding in Pyruvate Decarboxylase. Insights into the Reaction Mechanism from Molecular Dynamics Simulations. Biochemistry, 44(45), 14792-14806.

Schiøtt, B., Celik, L. & Lie, M. A. (2005). Cofactor Activation and Substrate Binding in Pyruvate Decarboxylase. Insights into the Reaction mechanism from Molecular Dynamics Simulations. Poster session presented at World Association of Theoretically Oriented Chemists, world congress, Cape Town, South Africa.

Taaning, R. H., Lindsay, K., Schiøtt, H. B., Daasbjerg, K. & Skrydstrup, T. (2009). C-N Bond Rotation in N-Acyl Oxazolidinones as the Controlling Factor in Their SmI₂-Promoted Coupling to Acrylamides. Journal of the American Chemical Society, 131, 10253-10262.

Laursen, L., Kristensen, K. B., Periole, X., Overby, M., Müller, H. K., Schiøtt, B. & Sinning, S. (2018). Cholesterol binding to a conserved site modulates conformation, pharmacology and transport kinetics of the human serotonin transporter. Journal of Biological Chemistry, 293(10), 3510-3523. https://doi.org/10.1074/jbc.M117.809046

Ingólfsson, H. I., Bhatia, H., Zeppelin, T., Bennett, W. F. D., Carpenter, K. A., Hsu, P. C., Dharuman, G., Bremer, P. T., Schiøtt, B., Lightstone, F. C. & Carpenter, T. S. (2020). Capturing Biologically Complex Tissue-Specific Membranes at Different Levels of Compositional Complexity. The journal of physical chemistry. B, 124(36), 7819-7829. https://doi.org/10.1021/acs.jpcb.0c03368

Palmer, D. S., Christensen, A. U., Sørensen, J., Celik, L., Qvist, K. B. & Schiøtt, H. B. (2010). Bovine Chymosin: A Computational Study of Recognition and Binding of Bovine κ-Casein. Biochemistry, 49, 2563–2573. https://doi.org/10.1021/bi902193u

Andersen, J., Ladefoged, L. K., Wang, D., Kristensen, T. N. B., Bang-Andersen, B., Kristensen, A. S., Schiøtt, B. & Stromgaard, K. (2015). Binding of the Multimodal Antidepressant Drug Vortioxetine to the Human Serotonin Transporter. ACS Chemical Neuroscience, 6(11), 1892-1900. https://doi.org/10.1021/acschemneuro.5b00225

Severinsen, K., Kraft, J. F., Koldsø, H., Vinberg, K. A., Rothman, R. B., Partilla, J. S., Wiborg, O., Blough, B., Schiøtt, B. & Sinning, S. (2012). Binding of the Amphetamine-like 1-Phenyl-piperazine to Monoamine Transporters. ACS Chemical Neuroscience, 3(9), 693-705. https://doi.org/10.1021/cn300040f

Celik, L., Sinning, S., Severinsen, K., Hansen, C. G., Møller, M. S., Bols, M., Wiborg, O. & Schiøtt, B. (2008). Binding of Serotonin to the Human Serotonin Transporter. Molecular Modeling and Experimental Validation. Journal of the American Chemical Society, 3853-3865.

Schiøtt, B., Celik, L., Sinning, S. & Wiborg, O. (2006). Binding of Serotonin in a Homology Model of the Serotonin Transporter. Poster session presented at 1st European Chemistry Congress, Budapest, Hungary.

Severinsen, K., Koldso, H., Thorup, K. A. V., Schjoth-Eskesen, C., Moller, P. T., Wiborg, O., Jensen, H. H., Sinning, S. & Schiott, B. (2014). Binding of Mazindol and Analogs to the human Serotonin and Dopamine Transporters. Molecular Pharmacology, 85(2), 208-17. https://doi.org/10.1124/mol.113.088922

Musgaard, M., Morth, J. P., Nissen, P. & Schiøtt, H. B. (2008). Binding of Inhibitors to P-type ATPases. Poster session presented at 6th iNANO Annual Meeting, Aarhus, Denmark.

Ladefoged, L. K., Schiøtt, B., Wilson, J. & Amaro, R. (2013). Binding of fluorescent neurotransmitter analogs to the human serotonin transporter explored using molecular mechanics. Poster session presented at Biology & chemistry computational research, San Diego, CA, United States. http://biochemcore.ucsd.edu/

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Revised 13.06.2024