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 presented at SFB 35 – Symposium: Transmembrane Transporters in Health and Disease 2011, Vienna, Austria, Wien, Austria.
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
Stanchev, S.
, Jensen, F., Hinkov, A., Atanasov, V., Genova-Kalou, P., Argirova, R. & Manolov, I. (2011).
Synthesis and inhibiting activity of some 4-hydroxycoumarin derivatives on HIV-1 protease.
ISRN Pharmaceutics.
https://doi.org/10.5402/2011/137637
Rasmussen, T. S., Koldsø, H., Nakagawa, S., Kato, A.
, Schiøtt, B. & Jensen, H. H. (2011).
Synthesis of uronic-Noeurostegine –a potent bacterial β-glucuronidase inhibitor.
Organic & Biomolecular Chemistry,
9, 7807-7813.
https://doi.org/10.1039/C1OB06038D
Koldsø, H., Noer, P., Grouleff, J., Autzen, H. E.
, Sinning, S. & Schiøtt, B. (2011).
Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na(+) ion release.
P L o S Computational Biology,
7(10), e1002246.
https://doi.org/10.1371/journal.pcbi.1002246
Koldsø, H., Noer, P. R., Grouleff, J., Autzen, H. E.
, Sinning, S. & Schiøtt, B. (2011).
Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na+ ion release.
P L o S Computational Biology (Online),
7(10), e1002246.
https://doi.org/10.1371/journal.pcbi.1002246
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
Palmer, D. S., Christensen, A. U., Sørensen, J., Celik, L., Qvist, K. B.
& Schiøtt, H. B. (2010).
Bovine Chymosin: A Computational Study of Recognition and Binding of Bovine κ-Casein.
Biochemistry,
49, 2563–2573.
https://doi.org/10.1021/bi902193u