Find

For students
For PhDs
For employees

Department of Chemistry

Publications

Papers

Sort by: Date | Author | Title

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

Wilson, J., Ladefoged, L. K., Babinchak, M. & Schiøtt, B. (2014). Binding-Induced Fluorescence of Serotonin Transporter Ligands: A Spectroscopic and Structural Study of 4-(4-(Dimethylamino)phenyl)-1-methylpyridinium (APP⁺) and APP⁺ Analogues. A C S Chemical Neuroscience, 5(4), 296-304. https://doi.org/10.1021/cn400230x

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. A C S 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. A C S Chemical Neuroscience, 3(9), 693-705. https://doi.org/10.1021/cn300040f

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/

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.

Koldsø, H., Musgaard, M., Celik, L., Sinning, S., Severinsen, K., Vinberg, K. A., Wiborg, O. & Schiøtt, H. B. (2007). Binding of Antidepressants and Psycostimulants in the Human Serotonin Transporter. Poster session presented at iNANO Autumn School 2007.

Kraft, J. F., Koldsø, H., Sinning, S., Wiborg, O. & Schiøtt, H. B. (2008). Binding of 1-Phenylpiperazineto the human Serotonin Transporter: A computational study. Poster session presented at EMBO workshop, Paris, France.

Kraft, J. F., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). Binding of 1-Phenylpiperazineto the human Serotonin Transporter: A computational study. Poster session presented at iNANO autumn school 2008.

Kraft, J. F., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). Binding of 1-Phenylpiperazine to the human Serotonin Transporter: A computational study. Poster session presented at ISQBP 2008.

Ladefoged, L. K. & Schiøtt, B. (2014). Binding modes of a novel antidepressant to the human serotonin transporter. Poster session presented at 12th iNANO annual meeting, Aarhus, Denmark.

Sinning, S., Musgaard, M., Jensen, M., Severinsen, K., Celik, L., Koldsoe, H., Meyer, T., Bols, M., Jensen, H. H., Schiøtt, H. B. & Wiborg, O. (2010). Binding and Orientation of Tricyclic Antidepressants within the Central Substrate Site of the Human Serotonin Transporter. Journal of Biological Chemistry, 285(11), 8363-8374. https://doi.org/10.1074/jbc.M109.045401

Ladefoged, L. K., Koch, R., Biggin, P. C. & Schiøtt, B. (2022). Binding and Activation of Serotonergic G-Protein Coupled Receptors by the Multimodal Antidepressant Vortioxetine. ACS Chemical Neuroscience, 13(8), 1129-1142. https://doi.org/10.1021/acschemneuro.1c00029

Vestergaard, M., Kraft, J. F., Vosegaard, T., Thøgersen, L. & Schiøtt, B. (2015). Bicelles and Other Membrane Mimics: Comparison of Structure, Properties, and Dynamics from MD Simulations. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(52), 15831-15843. https://doi.org/10.1021/acs.jpcb.5b08463

Ladefoged, L. K., Schiøtt, B. & Fedosova, N. (2021). Beneficent and Maleficent Effects of Cations on Bufadienolide Binding to Na+,K+-ATPase. Journal of Chemical Information and Modeling, 61(2), 976-986. https://doi.org/10.1021/acs.jcim.0c01396

Glad, S. S. & Jensen, F. (1996). Basis set and correlation effects on transition state geometries and kinetic isotope effects. Journal of Physical Chemistry, 100(42), 16892-16898. https://doi.org/10.1021/jp961559h

Nagy, B. & Jensen, F. (2017). Basis Sets in Quantum Chemistry. In A. L. Parrill & K. Lipkowitz (Eds.), Reviews in computational chemistry (Vol. 30, pp. 93-150). Wiley.

Hedegård, E. D., Jensen, F. & Kongsted, J. (2012). Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths. Journal of Chemical Theory and Computation, 8(11), 4425–4433. https://doi.org/10.1021/ct300359s

Warrick, E. R., Baekhoj, J. E., Cao, W., Fidler, A. P., Jensen, F., Madsen, L. B., Leone, S. R. & Neumark, D. M. (2017). Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b' ¹Σ⁺_u statestate⁺. Chemical Physics Letters, 683, 408-415. https://doi.org/10.1016/j.cplett.2017.02.013

Jensen, F. (2013). Atomic orbital basis sets. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3(3), 273-295. https://doi.org/10.1002/wcms.1123

Hasegawa, H., Walmsley, T., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2022). Asymmetric Dissociative Tunneling Ionization of Tetrafluoromethane in ω − 2ω Intense Laser Fields. Frontiers in chemistry, 10, [857863]. https://doi.org/10.3389/fchem.2022.857863

Jensen, F. (1999). Aspects of transition structures in computational chemistry. Dr. Sc. Thesis.

Displaying results 301 to 325 out of 352

13

Posters

Sort by: Date | Author | Title

Revised 04.01.2023