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Institut for Kemi

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Musgaard, M., Celik, L., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). How do Tricyclic Antidepressants Bind in the Human Serotonin Transporter? Molecular Modelling Studies with Biochemical Validation. Poster session præsenteret ved ISQBP President's Meeting, Ascona, Schweiz.

Vestergaard, M., Christensen, M., Hansen, S. K., Gronvall, D., Kjolbye, L. R., Vosegaard, T. & Schiott, B. (2017). How a short pore forming peptide spans the lipid membrane. Biointerphases, 12(2), [02D405]. https://doi.org/10.1116/1.4982642

Jensen, F. (2017). How Large is the Elephant in the Density Functional Theory Room? Journal of Physical Chemistry A, 121(32), 6104-6107. https://doi.org/10.1021/acs.jpca.7b04760

Celik, L., Musgaard, M., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). How Do Tricyclic Antidepressants Bind in the Human Serotonin Transporter? Molecular Modelling Studies and Biochemical Validation. Poster session præsenteret ved Biophysical Society Annual Meeting, Long Beach, USA.

Sørensen, J., Palmer, D. S. & Schiøtt, B. (2013). Hot-Spot Mapping the Interactions between Chymosin and Bovine κ-Casein. Journal of Agricultural and Food Chemistry, 61(33), 7949-7959 . https://doi.org/10.1021/jf4021043

Sinning, S., Celik, L., Severinsen, K., Hansen, C. G., Wiborg, O. & Schiøtt, B. (2006). Homology modeling of the human serotonin transporter structure and the substrate binding site. I 2006 Neuroscience Meeting Planner (Bind 531.7/E25)

Koldsø, H., Celik, L. & Schiøtt, H. B. (2008). Homology Modelling of the Human Serotonin Transporter. Poster session præsenteret ved 6th iNANO Annual Meeting.

Fujise, H., Uemura, M., Hasegawa, H., Ikeya, D., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2022). Helicity-dependent dissociative tunneling ionization of CF₄ in multicycle circularly polarized intense laser fields. Physical Chemistry Chemical Physics, 24(15), 8962-8969. https://doi.org/10.1039/d1cp05858d

Jensen, F. & Palmer, D. S. (2011). Harmonic Vibrational Analysis in Delocalized Internal Coordinates. Journal of Chemical Theory and Computation, 7(1), 223-230. https://doi.org/10.1021/ct100463a

Christensen, J. B., Jensen, F., Thaulov Andersen, J. E. & Hazell, R. (2016). Grundlæggende kemi. (1 udg.) Gyldendal.

Bondensgård, K. & Jensen, F. (1996). Gradient extremal bifurcation and turning points: An application to the HCO potential energy surface. Journal of Chemical Physics, 104(20), 8025-8031. https://doi.org/10.1063/1.471495

Svane, A. S. P., Sørensen, J., Schiøtt, H. B. & Nielsen, N. C. (2009). Glucagon - A model for amyloid fibril formation. Poster session præsenteret ved 7th Annual iNano Symposium, Århus, Danmark.

Thorning, F., Jensen, F. & Ogilby, P. R. (2022). Geometry Dependence of Spin-Orbit Coupling in Complexes of Molecular Oxygen with Atoms, H₂, or Organic Molecules. Journal of Physical Chemistry A, 126(6), 834-844. https://doi.org/10.1021/acs.jpca.1c09634

Kjølbye, L. R., De Maria, L., Wassenaar, T. A., Abdizadeh, H., Marrink, S. J., Ferkinghoff-Borg, J. & Schiøtt, B. (2021). General Protocol for Constructing Molecular Models of Nanodiscs. Journal of Chemical Information and Modeling, 61(6), 2869-2883. https://doi.org/10.1021/acs.jcim.1c00157

Kjær, C., Hansson, R. F., Hedberg, C., Jensen, F., Jensen, H. H. & Nielsen, S. B. (2020). Gas-phase action and fluorescence spectroscopy of mass-selected fluorescein monoanions and two derivatives. Physical Chemistry Chemical Physics, 22(17), 9210-9215. https://doi.org/10.1039/d0cp00453g

Rasmussen, T. D. & Jensen, F. (2004). Force field modelling of conformational energies. Molecular Simulation, 30(11-12), 801-806. https://doi.org/10.1080/0892702042000270188

Rasmussen, T. D., Ren, P., Ponder, J. W. & Jensen, F. (2007). Force Field Modelling of Conformational Energies. The Importance of Intramolecular Polarization. International Journal of Quantum Chemistry, (107), 1390-1395. https://doi.org/10.1002/qua.21278

Kaminsky, J. & Jensen, F. (2007). Force Field Modelling of Amino Acid Conformational Energies. Journal of Chemical Theory and Computation, 1774-1788. https://doi.org/10.1021/ct700082f

Celik, L., Lund, J. D. D. & Schiøtt, B. (2008). Exploring Interactions of Endocrine Disrupting Compounds with Different Conformations of the Human Estrogen Receptor α. A Molecular Docking Study. Chemical Research in Toxicology, 21(11), 2195-2206. https://doi.org/10.1021/tx800278d

Greer, A., Chen, M-F., Jensen, F. & Clennan, E. L. (1997). Experimental and ab Initio Computational Evidence for New Peroxidic Intermediates (Iminopersulfinic Acids). Substituent Effects in the Photooxidations of Sulfenic Acid Derivatives. Journal of American Chemical Society, 119, 4380-4387. https://doi.org/10.1021/ja964295l

Flinker, M., Lopez, S., Nielsen, D. U., Daasbjerg, K., Jensen, F. & Skrydstrup, T. (2017). Experimental and Theoretical Studies on the Reduction of CO₂ to CO with Chloro(methyl)disilane Components from the Direct Process. SYNLETT: Accounts and Rapid Communications in Chemical Synthesis, 28(18), 2439-2444. https://doi.org/10.1055/s-0036-1590840

Clennan, E. L., Chen, M-F., Greer, A. & Jensen, F. (1998). Experimental and Computational Evidence for the Formation of Iminopersulfinic Acids. Journal of Organic Chemistry, 63(10), 3397-3402. https://doi.org/10.1021/jo9800208

Jensen, F. (2005). Estimating the Hartree - Fock limit from finite basis set calculations. Theoretical Chemistry Accounts, 113(5), 267-273. https://doi.org/10.1007/s00214-005-0635-2

Li, Y., Wang, X., Jensen, F., Houk, K. N. & A. Olah, G. (1990). Energies and Properties of Ions Involved in Electrophilic Halogenations: Singlet and Triplet States of Halogen Cations (X+, X3+ and X42+) and Hydrohalonium Ions (HX2+ and H2X+). Journal of American Chemical Society, 112(10), 3922–3926. https://doi.org/10.1021/ja00166a030

Rasmussen, B. S., Pedersen, J. M., Sørensen, J., Egebjerg, J., Schiøtt, B., Mortensen, K. K. & Skrydstrup, T. (2007). Enantioselective Proteins: Selection, Binding Studies and Molecular Modeling of Antibodies with Affinity towards Hydrophobic BINOL Derivatives. ChemBioChem, 8(16), 1974-1980. https://doi.org/10.1002/cbic.200700295

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Revideret 09.06.2022