Find

For students
For PhDs
For employees

Department of Chemistry

Publications

Papers

Sort by: Date | Author | Title

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, [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, [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. [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, [114116]. https://doi.org/10.1063/1.4915141

Andersen, O. J., Grouleff, J., Needham, P., Walker, R. C. & Jensen, F. (2015). Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(46), 14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

Varbanov, H. P., Goeschl, S., Heffeter, P., Theiner, S., Roller, A., Jensen, F., Jakupec, M. A., Berger, W., Galanski, M. & Keppler, B. K. (2014). A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs. Journal of Medicinal Chemistry, 57(15), 6751-6764. https://doi.org/10.1021/jm500791c

Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Morishita, T. (2014). Application of the weak-field asymptotic theory to tunneling ionization of H₂O. Physical Review A, 89, [033412]. https://doi.org/10.1103/PhysRevA.89.033412

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.

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

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

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

Versolato, O. O., Schwarz, M., Hansen, A. K., Gingell, A. D., Windberger, A., Klosowski, L., Ullrich, J., Crespo López-Urrutia, J. R., Jensen, F. & Drewsen, M. (2014). Lifetime measurement of the first vibrationally excited state of MgH⁺ in a cryogenic Paul Trap (CryPTEx). In CPEM Digest (Conference on Precision Electromagnetic Measurements) (pp. 56-57). [6898256] Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/CPEM.2014.6898256

Hansen, S. K., Vestergaard, M., Thøgersen, L., Schiøtt, B., Nielsen, N. C. & Vosegaard, T. (2014). Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 118(19), 5119-5129. https://doi.org/10.1021/jp5000304

Displaying results 101 to 125 out of 352

5

Posters

Sort by: Date | Author | Title

Revised 04.01.2023