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Institut for Kemi

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Zeppelin, T., Periole, X. & Schiott, B. (2017). Mapping Cholesterol Binding Sites on the Human Dopamine Trapnsporter. Biophysical Journal, 112(3), 339A-339A.

Sedghamiz, E., Nagy, B. & Jensen, F. (2017). Probing the Importance of Charge Flux in Force Field Modeling. Journal of Chemical Theory and Computation, 13(8), 3715-3721. https://doi.org/10.1021/acs.jctc.7b00296

Thøgersen, J., Coletta, A., Keiding, S. R., Jensen, F., Jones, N. C., Hoffmann, S. V. & Jensen, S. K. (2017). Protonation of Aqueous Alanine by Photoionization of Water. Physical Chemistry Chemical Physics, 19(2), 1560-1570. https://doi.org/10.1039/C6CP07235F

Cheng, C. J., Koldso, H., Van der Kamp, M. W., Schiott, B. & Daggett, V. (2017). Simulations of membrane-bound diglycosylated human prion protein reveal potential protective mechanisms against misfolding. Journal of Neurochemistry, 142(1), 171-182. https://doi.org/10.1111/jnc.14044

Madsen, L. B., Jensen, F., Dnestryan, A. I. & Tolstikhin, O. I. (2017). Structure factors for tunneling ionization rates of molecules: General Hartree-Fock-based integral representation. Physical Review A, 96(1), [013423]. https://doi.org/10.1103/PhysRevA.96.013423

Villadsen, N. L., Jacobsen, K. M., Keiding, U., Weibel, E. T., Christiansen, B., Vosegaard, T., Bjerring, M., Jensen, F., Johannsen, M., Tørring, T. & Poulsen, T. (2017). Synthesis of ent-BE-43547A₁ reveals a potent hypoxia-selective anticancer agent and uncovers the biosynthetic origin of the APD-CLD natural products. Nature Chemistry, 9, 264-272. https://doi.org/10.1038/nchem.2657

Andersen, O. J., Risør, M. W., Poulsen, E. C., Nielsen, N. C., Miao, Y., Enghild, J. J. & Schiøtt, B. (2017). The reactive center loop insertion in α-1-antitrypsin captured by accelerated molecular dynamics simulation. Biochemistry, 56(4), 634-646. https://doi.org/10.1021/acs.biochem.6b00839

Jensen, F. (2017). Using valence bond methods to estimate intramolecular basis set superposition errors. Journal of Chemical Physics, 146(18), [184109]. https://doi.org/10.1063/1.4983229

Malinauskaite, L., Said, S., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B., Sinning, S. & Nissen, P. (2016). A Conserved Leucine Occupies the Empty Substrate Site of LeuT in the Na+-free Return State. Nature Communications, 7, [11673]. https://doi.org/10.1038/ncomms11673, https://doi.org/10.1038/ncomms11673

Aznauryan, M., Søndergaard, S., Noer, S. L., Schiøtt, B. & Birkedal, V. (2016). A direct view of the complex multi-pathway folding of telomeric G-quadruplexes. Nucleic Acids Research, 44(22), 11024-11032. https://doi.org/10.1093/nar/gkw1010

Ansari, S. M., Coletta, A., Skeby, K. K., Sørensen, J., Schiøtt, B. & Palmer, D. S. (2016). Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations. The Journal of Physical Chemistry Part B, 120(40), 10453-10462. https://doi.org/10.1021/acs.jpcb.6b07491

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

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

Blom, J., Johansen, T. K., Jensen, F. & Jørgensen, K. A. (2016). Dynamic resolution of 2-cyclohexylidene acetaldehydes through organocatalytic dienamine [4+2] cycloaddition. Chemical Communications, 52(44), 7153-7156. https://doi.org/10.1039/c6cc02019d

Li, Y., Tur, F., Nielsen, R., Jiang, H., Jensen, F. & Jørgensen, K. A. (2016). Enantioselective Formal [4+2] Cycloadditions to 3-Nitroindoles by Trienamine Catalysis: Synthesis of Chiral Dihydrocarbazoles. Angewandte Chemie International Edition, 55(3), 1020-1024. https://doi.org/10.1002/anie.201509693

Paz, B. M., Klier, L., Næsborg, L., Lauridsen, V. H., Jensen, F. & Jørgensen, K. A. (2016). Enantioselective Organocatalytic Cascade Approach to Different Classes of Benzofused Acetals. Chemistry: A European Journal, 22(47), 16810–16818. https://doi.org/10.1002/chem.201602992

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

Munier, M., Grouleff, J., Gourdin, L., Fauchard, M., Chantreau, V., Henrion, D., Coutant, R., Schiott, B., Chabbert, M. & Rodien, P. (2016). In Vitro Effects of the Endocrine Disruptor p,p '-DDT on Human Follitropin Receptor. Environmental Health Perspectives, 124(7), 991-999. https://doi.org/10.1289/ehp.1510006

Andersen, J., Ladefoged, L. K., Kristensen, T. N. B., Munro, L., Grouleff, J., Stuhr-Hansen, N., Kristensen, A. S., Schiott, B. & Strømgaard, K. (2016). Interrogating the Molecular Basis for Substrate Recognition in Serotonin and Dopamine Transporters with High-Affinity Substrate-Based Bivalent Ligands. ACS Chemical Neuroscience, 7(10), 1406-1417. https://doi.org/10.1021/acschemneuro.6b00164

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. 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, 2725-2738. https://doi.org/10.1016/j.bmc.2016.04.039

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Revideret 09.06.2022