Institut for Kemi

Aarhus Universitets segl

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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
Sørensen, J., Hamelberg, D., Schiøtt, H. B. & McCammon, J. A. (2007). Using Molecular Dynamics to Investigate Properties of Fibrillating Proteins. Poster-session præsenteret på 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 på 5th Annual iNANO Symposium, Århus, Danmark.
Sørensen, J., Palmer, D. S., Qvist, K. B. & Schiøtt, B. (2011). Initial Stage of Cheese Production: A Molecular Modeling Study of Bovine and Camel Chymosin Complexed with Peptides from the Chymosin-Sensitive Region of κ-Casein. Journal of Agricultural and Food Chemistry, 59(10), 5636-47. https://doi.org/10.1021/jf104898w
Sørensen, J., Periole, X., Skeby, K. K., Marrink, S.-J. & Schiøtt, B. (2011). Protofibrillar assembly towards the formation of amyloid fibrils. The Journal of Physical Chemistry Letters, 2(19), 2385–2390. https://doi.org/10.1021/jz2010094
Sørensen, J., Palmer, D. S. & Schiøtt, B. (2013). Hot-Spot Mapping the Interactions between Chymosin and Bovine κ-Casein. Journal of Agricultural and Food Chemistry, 61(33), 7949-7959 . https://doi.org/10.1021/jf4021043
Sonntag, Y., Musgaard, M., Olesen, C., Schiøtt, B., Møller, J. V., Nissen, P. & Thøgersen, L. (2011). Mutual adaptation of a membrane protein and its lipid bilayer during conformational changes. Nature Communications, 2, 304. https://doi.org/10.1038/ncomms1307
Song, W., Corey, R. A., Ansell, T. B., Cassidy, C. K., Horrell, M. R., Duncan, A. L., Stansfeld, P. J. & Sansom, M. S. P. (2022). PyLipID: A Python Package for Analysis of Protein-Lipid Interactions from Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, 18(2), 1188-1201. https://doi.org/10.1021/acs.jctc.1c00708
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
Skovstrup, S., Hansen, S. G., Skrydstrup, T. & Schiøtt, B. (2010). Conformational Flexibility of Chitosan: A Molecular Modeling Study. Biomacromolecules, 11(11), 3196-3207. https://doi.org/10.1021/bm100736w
Skeby, K. K., Sørensen, J. & Schiøtt, B. (2013). Identification of a Common Binding Mode for Imaging Agents to Amyloid Fibrils from Molecular Dynamics Simulations. Journal of the American Chemical Society, 135(40), 15114–15128. https://doi.org/10.1021/ja405530p
Skeby, K. K. & Schiøtt, B. (2013). Dansk studerende rydder forsiden af amerikansk kemi-tidsskrift. Videnskab.dk. http://videnskab.dk/teknologi/dansk-studerende-rydder-forsiden-af-amerikansk-kemi-tidsskrift
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
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)
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. I 2006 Neuroscience Meeting Planner (Bind 531.7/E25)
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
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.
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., Musgaard, M., Jensen, M., Severinsen, K., Celik, L., Koldsoe, H., Meyer, T., Bols, M., Jensen, H. H., Schiøtt, H. B. & Wiborg, O. (2010). Binding and Orientation of Tricyclic Antidepressants within the Central Substrate Site of the Human Serotonin Transporter. Journal of Biological Chemistry, 285(11), 8363-8374. https://doi.org/10.1074/jbc.M109.045401
Sinning, S., Said, S., Malinauskaite, L., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B. & Nissen, P. (2016). The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. Poster-session præsenteret på Gordon Research Conferenc, Barga, Italien.
Sinning, S., Said, S., Malinauskaite, L., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B. & Nissen, P. (2016). The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. Poster-session præsenteret på 9th SFB35 Symposium, Wien, Østrig.
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 på Orientering af S- og R-citalopram i serotonintransporteren - Computermodeller og biokemisk validering, Risskov, Danmark.
Severinsen, K., Koldsø, H., T Møller, P., Schiøtt, B., Rudnick, G. & Sinning, S. (2010). Konformationsændringer i serotonintransporteren som basis for effektiv binding af antidepressiva. Poster-session præsenteret på Psykiatriens 5. Forskningsdag, Risskov, Danmark.
Severinsen, K., Koldsø, H., Rosenberg, R., Schiøtt, B., Rudnick, G., Wiborg, O. & Sinning, S. (2010). Key residues controlling conformational transitions in the human serotonin transporter. Poster-session præsenteret på Gordon Research Conference.
Severinsen, K., Kraft, J. F., Koldsø, H., Vinberg, K. A., Rothman, R. B., Partilla, J. S., Wiborg, O., Blough, B., Schiøtt, B. & Sinning, S. (2012). Binding of the Amphetamine-like 1-Phenyl-piperazine to Monoamine Transporters. ACS Chemical Neuroscience, 3(9), 693-705. https://doi.org/10.1021/cn300040f

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Sørensen, J., Hamelberg, D., Schiøtt, H. B. & McCammon, J. A. (2007). Using Molecular Dynamics to Investigate Properties of Transthyretin. Poster-session præsenteret på 5th Annual iNANO Symposium, Århus, Danmark.
Sørensen, J., Palmer, D. S., Qvist, K. B. & Schiøtt, B. (2011). Initial Stage of Cheese Production: A Molecular Modeling Study of Bovine and Camel Chymosin Complexed with Peptides from the Chymosin-Sensitive Region of κ-Casein. Journal of Agricultural and Food Chemistry, 59(10), 5636-47. https://doi.org/10.1021/jf104898w
Sørensen, J., Periole, X., Skeby, K. K., Marrink, S.-J. & Schiøtt, B. (2011). Protofibrillar assembly towards the formation of amyloid fibrils. The Journal of Physical Chemistry Letters, 2(19), 2385–2390. https://doi.org/10.1021/jz2010094
Sørensen, J., Palmer, D. S. & Schiøtt, B. (2013). Hot-Spot Mapping the Interactions between Chymosin and Bovine κ-Casein. Journal of Agricultural and Food Chemistry, 61(33), 7949-7959 . https://doi.org/10.1021/jf4021043
Sonntag, Y., Musgaard, M., Olesen, C., Schiøtt, B., Møller, J. V., Nissen, P. & Thøgersen, L. (2011). Mutual adaptation of a membrane protein and its lipid bilayer during conformational changes. Nature Communications, 2, 304. https://doi.org/10.1038/ncomms1307
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
Skovstrup, S., Hansen, S. G., Skrydstrup, T. & Schiøtt, B. (2010). Conformational Flexibility of Chitosan: A Molecular Modeling Study. Biomacromolecules, 11(11), 3196-3207. https://doi.org/10.1021/bm100736w
Skeby, K. K., Sørensen, J. & Schiøtt, B. (2013). Identification of a Common Binding Mode for Imaging Agents to Amyloid Fibrils from Molecular Dynamics Simulations. Journal of the American Chemical Society, 135(40), 15114–15128. https://doi.org/10.1021/ja405530p
Skeby, K. K. & Schiøtt, B. (2013). Dansk studerende rydder forsiden af amerikansk kemi-tidsskrift. Videnskab.dk. http://videnskab.dk/teknologi/dansk-studerende-rydder-forsiden-af-amerikansk-kemi-tidsskrift
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
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)
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. I 2006 Neuroscience Meeting Planner (Bind 531.7/E25)
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
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.
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., Musgaard, M., Jensen, M., Severinsen, K., Celik, L., Koldsoe, H., Meyer, T., Bols, M., Jensen, H. H., Schiøtt, H. B. & Wiborg, O. (2010). Binding and Orientation of Tricyclic Antidepressants within the Central Substrate Site of the Human Serotonin Transporter. Journal of Biological Chemistry, 285(11), 8363-8374. https://doi.org/10.1074/jbc.M109.045401
Sinning, S., Said, S., Malinauskaite, L., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B. & Nissen, P. (2016). The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. Poster-session præsenteret på Gordon Research Conferenc, Barga, Italien.
Sinning, S., Said, S., Malinauskaite, L., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B. & Nissen, P. (2016). The molecular mechanism for overcoming the rate-limiting step in monoamine neurotransmitter transport. Poster-session præsenteret på 9th SFB35 Symposium, Wien, Østrig.
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 på Orientering af S- og R-citalopram i serotonintransporteren - Computermodeller og biokemisk validering, Risskov, Danmark.
Severinsen, K., Koldsø, H., T Møller, P., Schiøtt, B., Rudnick, G. & Sinning, S. (2010). Konformationsændringer i serotonintransporteren som basis for effektiv binding af antidepressiva. Poster-session præsenteret på Psykiatriens 5. Forskningsdag, Risskov, Danmark.
Severinsen, K., Koldsø, H., Rosenberg, R., Schiøtt, B., Rudnick, G., Wiborg, O. & Sinning, S. (2010). Key residues controlling conformational transitions in the human serotonin transporter. Poster-session præsenteret på Gordon Research Conference.
Severinsen, K., Kraft, J. F., Koldsø, H., Vinberg, K. A., Rothman, R. B., Partilla, J. S., Wiborg, O., Blough, B., Schiøtt, B. & Sinning, S. (2012). Binding of the Amphetamine-like 1-Phenyl-piperazine to Monoamine Transporters. ACS Chemical Neuroscience, 3(9), 693-705. https://doi.org/10.1021/cn300040f
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
Schulz, L., Ung, K. L., Zuzic, L., Koutnik-Abele, S., Schiøtt, B., Stokes, D. L., Pedersen, B. P. & Hammes, U. Z. (2025). Transport of phenoxyacetic acid herbicides by PIN-FORMED auxin transporters. Nature Plants, 11(5), 1049-1059. https://doi.org/10.1038/s41477-025-01984-0
Schiøtt, B. (2004). On the Possible Involvement of Collective Domain Movement in the Catalytic Reaction of Soluble Epoxide Hydrolase. Int. J. Qantum. Chem., 99.

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Posters

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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 på 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 på iNANO autumn school 2008.
Koldsø, H. & Schiøtt, H. B. (2008). Serotonin Binding and Dynamics in the Human Serotonin Transporter. Poster-session præsenteret på SFB-Symposium 08, Vienna, Østrig.
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 på ISQBP 2008, Ascona, Schweiz.
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 på  5th iNANO Annual Meeting.
Koldsø, H., Celik, L. & Schiøtt, H. B. (2008). Homology Modelling of the Human Serotonin Transporter. Poster-session præsenteret på 6th iNANO Annual Meeting.
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 på iNANO autumn school 2007.
Koldsø, H. & Schiøtt, B. (2011). Dynamics, Protein-Ligand Interactions, and Transport Pathway of the human Serotonin Transporter. Poster-session præsenteret på Celebrating Computational Biology: A tribute to Frank Blaney, Oxford, Storbritannien.
Dupont, D. M., Hansen, M., Jensen, J. K., Kristiansen, S. K., Mathiasen, L., Pedersen, K. E., Skeldal, S., Wind, T., Malmendal, A., Schiøtt, B., Nielsen, N. C. & Andreasen, P. (2006). Novel conformational probes and activity regulators of plasminogen avtivator inhibitor-1, isolated from phage-displayed disulfide bridge constrained peptide libraries. Poster-session præsenteret på Annual Meeting of the "Cancer Degradome", København, Danmark.
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 på Biophysical Society Annual Meeting, Long Beach, USA.

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Revideret 13.06.2024
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Anna Louise Duncan