Varbanov, H. P., Jakupec, M. A., Roller, A.
, Jensen, F., Galanski, M. & Keppler, B. K. (2013).
Theoretical investigations and density functional theory based quantitative structure activity relationships model for novel cytotoxic Pt(IV) complexes.
Journal of Medicinal Chemistry,
56(1), 330-344.
https://doi.org/10.1021/jm3016427
Paulsen, E. S., Villadsen, J., Tenori, E., Liu, H.
, Bonde, D. F., Lie, M. A., Bublitz, M., Olesen, C., Autzen, H. E., Dach, I., Sehgal, P., Nissen, P., Møller, J. V., Schiøtt, B. & Christensen, SB. (2013).
Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.
Journal of Medicinal Chemistry,
56(9), 3609-3619.
https://doi.org/10.1021/jm4001083
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.
A C S Chemical Neuroscience,
3(9), 693-705.
https://doi.org/10.1021/cn300040f
Halskov, K. S., Johansen, T. K., Davis, R., Hoff Steurer, M. M., Jensen, F. & Jørgensen, K. A. (2012).
Cross-trienamines in Asymmetric Organocatalysis.
Journal of the American Chemical Society,
134(31), 12943-12946.
https://doi.org/10.1021/ja3068269
Rodgers, J. M.
, Sørensen, J., de Meyer, F. J-M.
, Schiøtt, B. & Smit, B. (2012).
Understanding the Phase Behavior of Coarse-Grained Model Lipid Bilayers Through Computational Calorimetry.
Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical,
116(5), 1551-1569.
https://doi.org/10.1021/jp207837v
Andersen, N. K., Døssing, H. B.
, Jensen, F., Vester, B. & Nielsen, P. (2011).
Duplex and triplex formation of mixed pyrimidine oligonucleotides with stacking of phenyl-triazole moieties in the major groove.
Journal of Organic Chemistry,
76(15), 6177-87.
https://doi.org/10.1021/jo200919y
Møller, P. T.
, Severinsen, K., Koldsø, H., Rudnick, G.
, Schiøtt, B., Wiborg, O. & Sinning, S. (2011).
Key residues controlling conformational transitions in the serotonin transporter. Poster session præsenteret ved SFB 35 – Symposium: Transmembrane Transporters in Health and Disease 2011, Vienna, Austria, Wien, Østrig.
Lie, M. A., Thomsen, R., Pedersen, C. N. S., Schiøtt, B. & Christensen, M. H. (2011).
Molecular Docking with Ligand Attached Water Molecules.
Journal of Chemical Information and Modeling,
51(4), 909-917.
https://doi.org/10.1021/ci100510m
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
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