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Department of Chemistry

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Kragh-Hansen, U., Minchiotti, L., Coletta, A., Bienk, K., Galliano, M., Schiøtt, B., Iwao, Y., Ishima, Y. & Otagiri, M. (2016). 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. B B A - General Subjects, 1860(4), 648-660. https://doi.org/10.1016/j.bbagen.2016.01.001

Aznauryan, M., Sondergaard, S., Noer, S., Schiott, B. & Birkedal, V. (2016). Probing the Folding Dynamics of Human Telomeric G-Quadruplex with Single-Molecule FRET. Biophysical Journal, 110(3), 406A-406A. https://doi.org/10.1016/j.bpj.2015.11.2194

Jakobsen, S. & Jensen, F. (2016). Searching the Force Field Electrostatic Multipole Parameter Space. Journal of Chemical Theory and Computation, 12(4), 1824-1832. https://doi.org/10.1021/acs.jctc.5b01187

Bregnhøj, M., Westberg, M., Jensen, F. & Ogilby, P. R. (2016). Solvent-dependent singlet oxygen lifetimes: temperature effects implicate tunneling and charge-transfer interactions. Physical Chemistry Chemical Physics, 18(33), 22946-22961. https://doi.org/10.1039/C6CP01635A

Jensen, M. R., Bajic, G., Zhang, X., Laustsen, A. K., Koldsø, H., Skeby, K. K., Schiøtt, B., Andersen, G. R. & Vorup-Jensen, T. (2016). Structural basis for simvastatin competitive antagonism of complement receptor 3. Journal of Biological Chemistry, 291(33), 16963-16976. https://doi.org/10.1074/jbc.M116.732222

Brinkø, A., Larsen, M. T., Koldsø, H., Besenbacher, L. M., Kolind, A., Schiøtt, B., Sinning, S. & Jensen, H. H. (2016). Synthesis and inhibitory evaluation of 3-linked imipramines for the exploration of the S2 site of the human serotonin transporter. Bioorganic & Medicinal Chemistry, 24(12), 2725-2738. https://doi.org/10.1016/j.bmc.2016.04.039

Sinning, S., Said, S., Malinauskaite, L., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B. & Nissen, P. (2016). The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. Poster session presented at Gordon Research Conferenc, Barga, Italy.

Sinning, S., Said, S., Malinauskaite, L., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B. & Nissen, P. (2016). The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. Poster session presented at 9th SFB35 Symposium, Wien, Austria.

Said, S., Malinauskaite, L., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B., Nissen, P. & Sinning, S. (2016). The molecular mechanism for overcoming the ratelimiting step in monoamine neurotransmitter transport. Poster session presented at Årsmøde for Dansk Selskab for Farmakologi, Toksikologi og Medicinalkemi, Sandbjerg, Denmark.

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

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

Søndergaard, S., Aznauryan, M., Haustrup, E. K., Schiøtt, B., Birkedal, V. & Corry, B. (2015). Dynamics of Fluorescent Dyes Attached to G-Quadruplex DNA and their Effect on FRET Experiments. ChemPhysChem, 16(12), 2562-2570. https://doi.org/10.1002/cphc.201500271

Koldsø, H., Andersen, O. J., Nikolajsen, C. L., Scavenius, C., Sørensen, C. S., Underhaug, J., Runager, K., Nielsen, N. C., Enghild, J. J. & Schiøtt, B. (2015). 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. Biochemistry, 54(36), 55546-5556. https://doi.org/10.1021/acs.biochem.5b00473

Koldsø, H., Grouleff, J. & Schiøtt, B. (2015). Insights to ligand binding to the monoamine transporters-from homology modeling to LeuBAT and dDAT. Frontiers in Pharmacology, 6, Article 208. https://doi.org/10.3389/fphar.2015.00208

Kraus, P. M., Mignolet, B., Baykusheva, D., Rupenyan, A., Horný, L., Penka, E. F., Grassi, G., Tolstikhin, O. I., Schneider, J., Jensen, F., Madsen, L. B., Bandrauk, A. D., Remacle, F. & Wörner , H. J. (2015). Measurement and laser control of attosecond charge migration in ionized iodoacetylene. Science, 350(6262), 790-795 . https://doi.org/10.1126/science.aab2160

Grouleff, J., Ladefoged, L. K., Koldso, H. & Schiott, B. (2015). Monoamine transporters: insights from molecular dynamics simulations. Frontiers in Pharmacology, 6, Article 235. https://doi.org/10.3389/fphar.2015.00235

Kraus, P. M., Tolstikhin, O. I., Baykusheva, D., Rupenyan, A., Schneider, J., Bisgaard, C. Z., Morishita, T., Jensen, F., Madsen, L. B. & Wörner , H. J. (2015). Observation of laser-induced electronic structure in oriented polyatomic molecules. Nature Communications, 6, 1-8. Article 7039. https://doi.org/10.1038/ncomms8039

Poulsen, P. H., Feu, K. S., Paz, B. M., Jensen, F. & Jørgensen, K. A. (2015). Organocatalytic Asymmetric 1,6-Addition/1,4-Addition Sequence to 2,4-Dienals for the Synthesis of Chiral Chromans. Angewandte Chemie International Edition, 54(28), 8203-8207. https://doi.org/10.1002/anie.201503370

Thøgersen, J., Kissner, R., Nauser, T., Koppenol, W. H., Richter, B., Jensen, F., Keiding, S. R. & Jensen, S. K. (2015). Primary photochemistry of peroxynitrite in aqueous solution. Chemical Physics Letters, 641, 187-192. https://doi.org/10.1016/j.cplett.2015.10.056

Grouleff, J., Sondergaard, S., Koldso, H. & Schiott, B. (2015). Properties of an Inward-Facing State of LeuT: Conformational Stability and Substrate Release. Biophysical Journal, 108(6), 1390-1399. https://doi.org/10.1016/j.bpj.2015.02.010

Walt, S. G., Bhargava Ram, N., Von Conta, A., Tolstikhin, O. I., Madsen, L. B., Jensen, F. & Wörner, H. J. (2015). Role of Multi-Electron Effects in the Asymmetry of Strong-Field Ionization and Fragmentation of Polar Molecules: The Methyl Halide Series. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 119(49), 11772-11782. https://doi.org/10.1021/acs.jpca.5b07331

Jensen, F. (2015). Segmented contracted basis sets optimized for nuclear magnetic shielding. Journal of Chemical Theory and Computation, 11(1), 132-138. https://doi.org/10.1021/ct5009526

Salamone, S., Clement, L. L., Viuff, A. H., Andersen, O. J., Jensen, F. & Jensen, H. H. (2015). Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors. Organic & Biomolecular Chemistry, 13(29), 7979-7992. https://doi.org/10.1039/c5ob01062d

Grouleff, J., Irudayam, S. J., Skeby, K. K. & Schiøtt, B. (2015). The influence of cholesterol on membrane protein structure, function, and dynamics studied by molecular dynamics simulations. B B A - Biomembranes, 1848(9), 1783-1795. https://doi.org/10.1016/j.bbamem.2015.03.029

Kristensen, K., Ettenhuber, P., Eriksen, J. J., Jensen, F. & Jørgensen, P. (2015). The same number of optimized parameters scheme for determining intermolecular interaction energies. Journal of Chemical Physics, 142, Article 114116. https://doi.org/10.1063/1.4915141

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Revised 17.04.2023