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Department of Chemistry

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Halskov, K. S., Johansen, T. K., Davis, R., Hoff Steurer, M. M., Jensen, F. & Jørgensen, K. A. (2012). Cross-trienamines in Asymmetric Organocatalysis. Journal of the American Chemical Society, 134(31), 12943-12946. https://doi.org/10.1021/ja3068269

Schiøtt, B. (Producer) & Skeby, K. K. (Producer). (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

Jensen, F. & Houk, K. N. (1987). Correlated Transition Structure for the [1,5]-Hydrogen Shift. Journal of American Chemical Society, 109(10), 3139–3140. https://doi.org/10.1021/ja00244a043

Christensen, A., Mayer, C., Jensen, F., Bond, A. D. & McKenzie, C. J. (2006). Controlled formation and topologies of thiophenolate-based macrocycles: Rings, cylinders and bowls. Dalton Transactions (Print Edition), (1), 108-120. https://doi.org/10.1039/b512068c

Jensen, F. (2005). Contracted basis sets for density functional calculations: Segmented versus general contraction. Journal of Chemical Physics, 122(7). https://doi.org/10.1063/1.1844313

Jensen, F. (1997). Conformations of glycolic acid. Acta Chemica Scandinavica, 51(4), 439-441.

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

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

Kaminský, J. & Jensen, F. (2016). Conformational Interconversions of Amino Acid Derivatives. Journal of Chemical Theory and Computation, 12(2), 694-705. https://doi.org/10.1021/acs.jctc.5b00911

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

Jensen, F. (2022). Computational Chemistry: The Exciting Opportunities and the Boring Details. Israel Journal of Chemistry, 62(1-2), [e202100027]. https://doi.org/10.1002/ijch.202100027

Yuan, Y., Mills, M. J. L., Popelier, P. L. A. & Jensen, F. (2014). Comprehensive Analysis of Energy Minima of the 20 Natural Amino Acids. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 118(36), 7876-7891. https://doi.org/10.1021/jp503460m

Koldsø, H., B. Christiansen, A., Sinning, S. & Schiøtt, B. (2013). Comparative Modelling of the Human Monoamine Transporters. A C S 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., 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.

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.

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

Jensen, F. & Foote, C. S. (1987). Chemistry of singlet oxygen. 49. Photooxidation of thiiranes. Journal of the American Chemical Society, 109(5), 1478-1485. https://doi.org/10.1021/ja00239a030

Jensen, F. & Foote, C. S. (1987). Chemistry of singlet oxygen--48. Isolation and structure of the primary product of photooxygenation of 3,5-di-t-butyl catechol. Photochemistry and Photobiology, 46(3), 325-330. https://doi.org/10.1111/j.1751-1097.1987.tb04776.x

Jensen, F. (2005). Chapter 1 An Introduction to the State of the Art in Quantum Chemistry. Annual Reports in Computational Chemistry, 1(C), 3-17. https://doi.org/10.1016/S1574-1400(05)01001-7

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

Jensen, F. & Koch, H. (1998). C24. Ring or Fullerene? Journal of Chemical Physics, 108, 3213-3217. https://doi.org/10.1063/1.475716

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.

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Revised 04.01.2023