Find

For students
For PhDs
For employees

Department of Chemistry

Publications

Papers

Sort by: Date | Author | Title

Jensen, F. (2008). The Basis Set Convergence of Nuclear Magnetic Shielding Constants Calculated by Density Functional Methods. Journal of Chemical Theory and Computation, (4), 719-727. https://doi.org/10.1021/ct800013z

Sinning, S., Severinsen, K., Hansen, C. G., Celik, L., Musgaard, M., Koldsø, H., Jensen, M., Jensen, H. H., Schiøtt, H. B. & Wiborg, O. (2008). Tricyclic antidepressant binding to the human serotonin transporter. Abstract from Gordon Research Conference, Membrane Transport Proteins, Il Ciocco, Italy.

Sinning, S., Severinsen, K., Celik, L., Musgaard, M., Koldsø, H., Schiøtt, H. B., Wiborg, O., Hansen, C. G., Jensen, M. & Jensen, H. H. (2008). Tricykliske antidepressivas binding til den humane serotonin transporter. Abstract from Psykiatriens 3. Forskningsdag, Risskov, Denmark.

Koldsø, H., Musgaard, M., Celik, L., Sinning, S., Severinsen, K., Vinberg, K. A., Wiborg, O. & Schiøtt, H. B. (2007). Binding of Antidepressants and Psycostimulants in the Human Serotonin Transporter. Poster session presented at iNANO Autumn School 2007.

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. & 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.

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

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

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

Koldsø, H., Musgaard, M., Celik, L., Sinning, S., Severinsen, K., Hansen, C. G., Wiborg, O. & Schiøtt, H. B. (2007). Insights into Binding of Antidepressants to the Human Serotonin Transporter. Poster session presented at 5th iNANO Annual Meeting.

Musgaard, M. & Schiøtt, H. B. (2007). Molecular Dynamics Simulations on a Bacterial Aspartate Transporter. Poster session presented at iNANO Autumn School.

Jensen, F. (2007). Polarization Consistent Basis Sets. VI. The Elements He, Li, Be, B, Ne, Na, Mg, Al, Ar. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, (111), 11198-11204. https://doi.org/10.1021/jp068677h

Sinning, S., Christensen, H. S., Boye, S. V., Thingaard, J., Wiborg, O., Schiøtt, B. & Bols, M. (2007). QSAR studies and pharmacophore identification for acrylsubstituted cycloalkenecarboxylic acid methyl esters with affinity for the human dopamine transporter. Bioorganic & Medicinal Chemistry, 15, 5262-5274. http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TF8-4NP97YG-1&_user=10&_coverDate=08%2F01%2F2007&_rdoc=1&_fmt=high&_orig=gateway&_origin=gateway&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e8a47e7dd2ba3f9d84d87fb2e924327&searchtype=a

Christensen, H. S., Boye, S. V., Thinggaard, J., Sinning, S., Wiborg, O., Schiøtt, B. & Bols, M. (2007). QSAR studies and pharmacophore identification for arylsubstituted cycloalkenecarboxylic acid methyl esters with affinity for the human dopamine transporter. Bioorganic and Medicinal Chemistry, 15(15), 5262-5274. https://doi.org/10.1016/j.bmc.2007.05.015

Schiøtt, B., Sørensen, J., Clausen, H. F., Overgaard, J. & Poulsen, R. D. (2007). Short strong hydrogen bonds in 2-acetyl-1,8-dihydroxy-3,6-naphtalene - An outlier to current hydrogen bonding theory? Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111, 345-351. https://doi.org/10.1021/jp0643395

Kocalka, P., Andersen, N. K., Jensen, F. & Nielsen, P. (2007). Synthesis of 5-(1,2,3-triazol-4-yl)-2'-deoxy-uridines by a Click Chemistry Approach; Stacking of Triazoles in the Major Groove Gives Increased Nucleic Acid Duplex Stability. ChemBioChem, (8), 2106-2116.

Madsen, G. K. H., McIntyre, G. J., Schiøtt, B. & Larsen, F. K. (2007). The Low-Barrier Hydrogen Bond of Deuterated Benzoylacetone Probed by Very Low Temperature Neutron and X-ray Diffraction Studies and Theoretical Calculations. Chemistry: A European Journal, 13, 5539-5547. https://doi.org/10.1002/chem.200601490

Nygaard, S., Hansen, S. W., Huffman, J. C., Jensen, F., Flood, A. H. & Jeppesen, J. O. (2007). Two Classes of Alongside Charge-transfer Interactions Defined in One [2]Catenane. Journal of the American Chemical Society, (129), 7354-7363. https://doi.org/10.1021/ja069047w

Sørensen, J., Hamelberg, D., Schiøtt, H. B. & McCammon, J. A. (2007). Using Molecular Dynamics to Investigate Properties of Fibrillating Proteins. Poster session presented at Novo Scholarship Symposium, Bagsværd, Denmark.

Sørensen, J., Hamelberg, D., Schiøtt, H. B. & McCammon, J. A. (2007). Using Molecular Dynamics to Investigate Properties of Transthyretin. Poster session presented at 5th Annual iNANO Symposium, Århus, Denmark.

Sinning, S., Severinsen, K., Hansen, C. G., Celik, L., Musgaard, M., Koldsø, H., Schiøtt, B., Rosenberg, R. & Wiborg, O. (2006). An experimentally supported homology model for the antidepressant binding site on the human serotonin transporter: Poster. In 2006 Neuroscience Meeting Planner (Vol. 531.6/E24)

Lesyk, R., Zimenkovsky, B., Atamanyuk, D., Jensen, F., Kiec-kononowicz, K. & Gzella, A. (2006). Anti cancer thiopyrano[2,3-d][1,3]thiazol-2-ones with norbornane moiety. Synthesis, cytotoxicity, physico-chemical properties, and computational studies. Journal of Chemical Theory and Computation, 14(15), 5230-5240. https://doi.org/DOI:10.1016/j.bmc.2006.03.053

Schiøtt, B., Celik, L., Sinning, S. & Wiborg, O. (2006). Binding of Serotonin in a Homology Model of the Serotonin Transporter. Poster session presented at 1st European Chemistry Congress, Budapest, Hungary.

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

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. In 2006 Neuroscience Meeting Planner (Vol. 531.7/E25)

Displaying results 226 to 250 out of 352

10

Posters

Sort by: Date | Author | Title

Revised 04.01.2023