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Institut for Kemi

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Stanchev, S., Jensen, F. & Manolov, I. (2008). Synthesis and DFT study of the spectral behavior of new 4-hydroxycoumarins. International Journal of Quantum Chemistry, (108), 1340-1351. https://doi.org/10.1002/qua.21628

Stanchev, S., Momekov, G., Jensen, F. & Manolov, I. (2008). Synthesis, Computational Study and Cytotoxic Activity of new 4-Hydroxycoumarin Derivatives. European Journal of Medicinal Chemistry, (43), 694-706. https://doi.org/10.1002/chin.200835132

Kaminsky, J., Jensen, F., Mata, R. A. & Werner, H-J. (2008). The Accuracy of Local MP2 Methods for Conformational Energies. Molecular Physics, (106), 1899-1906. https://doi.org/10.1080/00268970802360355

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 fra Gordon Research Conference, Membrane Transport Proteins, Il Ciocco, Italien.

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 fra Psykiatriens 3. Forskningsdag, Risskov, Danmark.

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 præsenteret ved 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 præsenteret ved 5th iNANO Annual Meeting.

Musgaard, M. & Schiøtt, H. B. (2007). Molecular Dynamics Simulations on a Bacterial Aspartate Transporter. Poster session præsenteret ved 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 præsenteret ved Novo Scholarship Symposium, Bagsværd, Danmark.

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

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. I 2006 Neuroscience Meeting Planner (Bind 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

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Revideret 09.06.2022