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Institut for Kemi

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Kraft, J. F., Lie, M. A. & Schiøtt, H. B. (2009). Molecular Docking Simulations: Improvement of methodologies for membrane proteins. Poster session præsenteret ved iNANO autumn school 2007.

Yatime, L., Buch-Pedersen, M. J., Musgaard, M., Morth, J. P., Winther, A-M. L., Pedersen, B. P., Olesen, C. E., Andersen, J. P., Vilsen, B., Schiøtt, H. B., Palmgren, M., Møller, J. V., Nissen, P. & Fedosova, N. (2009). P-type ATPases as drug targets: Tools for medicine and science. B B A - Bioenergetics, 1787(4), 207-20.

Bertelsen, K., Jensen, B. P., Thøgersen, L., Tajkhorshid, E., Schiøtt, H. B., Skrydstrup, T., Nielsen, N. C. & Vosegaard, T. (2009). Residue-Specific Information about the Dynamics of Antimicrobial Peptides from ¹H−¹⁵N and ²H Solid-State NMR Spectroscopy. Journal of the American Chemical Society, 131(51), 18335–18342. https://doi.org/10.1021/ja908604u

Andersen, N. K., Spacilova, L., Jensen, M. D., Kocalka, P., Jensen, F. & Nielsen, P. (2008). A Click Chemistry Approach Towards Nucleic Acid Major Groove Functionalization. Nucleic Acids Symposium Series, (52), 149-150. https://doi.org/10.1093/nass/nrn076

Kraft, J. F., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). Binding of 1-Phenylpiperazine to the human Serotonin Transporter: A computational study. Poster session præsenteret ved ISQBP 2008.

Kraft, J. F., Koldsø, H., Sinning, S., Wiborg, O. & Schiøtt, H. B. (2008). Binding of 1-Phenylpiperazineto the human Serotonin Transporter: A computational study. Poster session præsenteret ved EMBO workshop, Paris, Frankrig.

Kraft, J. F., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). Binding of 1-Phenylpiperazineto the human Serotonin Transporter: A computational study. Poster session præsenteret ved iNANO autumn school 2008.

Musgaard, M., Morth, J. P., Nissen, P. & Schiøtt, H. B. (2008). Binding of Inhibitors to P-type ATPases. Poster session præsenteret ved 6th iNANO Annual Meeting, Aarhus, Danmark.

Celik, L., Sinning, S., Severinsen, K., Hansen, C. G., Møller, M. S., Bols, M., Wiborg, O. & Schiøtt, B. (2008). Binding of Serotonin to the Human Serotonin Transporter. Molecular Modeling and Experimental Validation. Journal of the American Chemical Society, 3853-3865.

Schiøtt, B. & Lie, M. A. (2008). DFT Study of Solvation Effects on the Tautomeric Equlibrium and Catalytic Ylide Generation of Thiamin Models. Journal of Computational Chemistry, 29, 1037-1047.

Celik, L., Lund, J. D. D. & Schiøtt, B. (2008). Exploring Interactions of Endocrine Disrupting Compounds with Different Conformations of the Human Estrogen Receptor α. A Molecular Docking Study. Chemical Research in Toxicology, 21(11), 2195-2206. https://doi.org/10.1021/tx800278d

Koldsø, H., Celik, L. & Schiøtt, H. B. (2008). Homology Modelling of the Human Serotonin Transporter. Poster session præsenteret ved 6th iNANO Annual Meeting.

Celik, L., Musgaard, M., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). How Do Tricyclic Antidepressants Bind in the Human Serotonin Transporter? Molecular Modelling Studies and Biochemical Validation. Poster session præsenteret ved Biophysical Society Annual Meeting, Long Beach, USA.

Musgaard, M., Celik, L., Koldsø, H., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). How do Tricyclic Antidepressants Bind in the Human Serotonin Transporter? Molecular Modelling Studies with Biochemical Validation. Poster session præsenteret ved ISQBP President's Meeting, Ascona, Schweiz.

Jensen, F. (2008). Large Scale Computations in Biological Chemistry. Paper præsenteret ved Large Scale Simulations of Complex Systems, Condensed Matter and Fusion Plasma, Zaragoza, Spanien.

Musgaard, M., Thøgersen, L. & Schiøtt, H. B. (2008). Molecular Dynamics Simulations of the E2 Form of the Ca²⁺-ATPase: Preliminary Results. Poster session præsenteret ved 12^th International ATPase Conference. Na,K-ATPase and Related Transport ATPases of P-type: Structures, Mechanisms, and Roles in Health and Disease, Aarhus, Danmark.

Benedikt, U., Auer, A. A. & Jensen, F. (2008). Optimization of Augmentation Functions for Correlated Calculations of Spin-spin Coupling Constants and Related Properties. Journal of Chemical Physics, (129), 064111-1 - 8. https://doi.org/10.1063/1.2962973

Severinsen, K., Koldsø, H., Tran, M., Sinning, S., Jensen, H. H., Schiøtt, H. B. & Wiborg, O. (2008). Orientering af S- og R-citalopram i serotonintransporteren - Computermodeller og biokemisk validering. Poster session præsenteret ved Orientering af S- og R-citalopram i serotonintransporteren - Computermodeller og biokemisk validering, Risskov, Danmark.

Musgaard, M. & Schiøtt, H. B. (2008). P-Type ATPases - the Catalytic Cycle. Poster session præsenteret ved ISQBP President's Meeting, Ascona, Schweiz.

Thøgersen, L., Schiøtt, B., Vosegaard, T., Nielsen, N. C. & Tajkhorshid, E. (2008). Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study. Biophysical Journal, 95(9), 4337-4347. https://doi.org/10.1529/biophysj.108.133330

Vosegaard, T., Bertelsen, K., Pedersen, J. M., Thøgersen, L., Schiøtt, B., Tajkhorshid, E., Skrydstrup, T. & Nielsen, N. C. (2008). Resolution Enhancement in Solid-State NMR of Oriented Membrane Proteins by Anisotropic Differential Linebroadening. Journal of the American Chemical Society, 130, 5028-5029.

Koldsø, H. & Schiøtt, H. B. (2008). Serotonin Binding and Dynamics in the Human Serotonin Transporter. Poster session præsenteret ved SFB-Symposium 08, Vienna, Østrig.

Drenck, K., Jensen, F., Olsen, J. & Nielsen, S. B. (2008). Stability of the three tetracoordinated dianions Ni(CN)^2-₄, Cr(SCN)^2-_{4 ,}and Cu(N₃)^2-₄. Chemical Physics, 353, 189-192.

Koldsø, H., Celik, L., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). Substrate Binding and Dynamics in the Human Serotonin Transporter. Poster session præsenteret ved ISQBP 2008, Ascona, Schweiz.

Celik, L., Schiøtt, H. B. & Tajkhorshid, E. (2008). Substrate Binding and Formation of an Occluded State in the Leucine Transporter. Biophysical Journal, 94(5), 1600-1612. https://doi.org/10.1529/biophysj.107.117580

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Revideret 09.06.2022