Roeters, S. J., Strunge, K., Pedersen, K. B., Golbek, T. W., Bregnhøj, M., Zhang, Y., Wang, Y., Dong, M., Nielsen, J., Otzen, D. E., Schiøtt, B. & Weidner, T. (2023).
Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces.
Nature Communications,
14(1), Article 5731.
https://doi.org/10.1038/s41467-023-39843-1
Kristoffersen, E. L., Coletta, A., Lund, L. M., Schiøtt, B. & Birkedal, V. (2023).
Inhibited complete folding of consecutive human telomeric G-quadruplexes.
Nucleic Acids Research,
51(4), 1571-1582.
https://doi.org/10.1093/nar/gkad004
Alijanvand, S. H., Ladefoged, L. K., Zubrienė, A., Sakalauskas, A., Christiansen, G., Dudutiene, V.
, Schiøtt, B., Matulis, D., Smirnovas, V.
& Otzen, D. E. (2023).
Inhibitory effects of fluorinated benzenesulfonamides on insulin fibrillation.
International Journal of Biological Macromolecules,
227, 590-600.
https://doi.org/10.1016/j.ijbiomac.2022.12.105
Arad, E.
, Pedersen, K. B., Malka, O., Mambram Kunnath, S., Golan, N., Aibinder, P.
, Schiøtt, B., Rapaport, H., Landau, M. & Jelinek, R. (2023).
Staphylococcus aureus functional amyloids catalyze degradation of β-lactam antibiotics.
Nature Communications,
14(1), Article 8198.
https://doi.org/10.1038/s41467-023-43624-1
Bavnhøj, L., Driller, J. H., Zuzic, L., Stange, A. D., Schiøtt, B. & Pedersen, B. P. (2023).
Structure and sucrose binding mechanism of the plant SUC1 sucrose transporter.
Nature Plants,
9(6), 938-950.
https://doi.org/10.1038/s41477-023-01421-0
Zuzic, L., Stange, A. D., Bavnhøj, L., Driller, J. H., Schiøtt, B. & Pedersen, B. P. (2023).
Sweet and sour transport: Simulation insights into H+/sugar symport in plants.
Biophysical Journal,
122(3S1), 197a.
https://doi.org/10.1016/j.bpj.2022.11.1201
Kjølbye, L. R., Sørensen, L., Yan, J.
, Berglund, N. A., Ferkinghoff-Borg, J., Robinson, C. V.
& Schiøtt, B. (2022).
Lipid Modulation of a Class B GPCR: Elucidating the Modulatory Role of PI(4,5)P2 Lipids.
Journal of Chemical Information and Modeling,
62(24), 6788-6802.
https://doi.org/10.1021/acs.jcim.2c00635
Truong, T. T., Hayn, M.
, Frich, C. K., Olari, L.-R.
, Ladefoged, L. K., Olesen, M. T. J., Jakobsen, J. H., Lunabjerg-Vestergaard, C. K.
, Schiøtt, B., Münch, J.
& Zelikin, A. N. (2022).
Potentiation of Drug Toxicity through Virus Latency Reversal Promotes Preferential Elimination of HIV Infected Cells.
Advanced Therapeutics,
5(11), Article 2200113.
https://doi.org/10.1002/adtp.202200113
Stange, A. D., Hsu, J. P. C., Ravnkilde, L. K., Berglund, N. & Schiøtt, B. (2021).
Effect of cholesterol on the dimerization of C99—A molecular modeling perspective.
Biointerphases,
16(3), Article 031002.
https://doi.org/10.1116/6.0000985
Zeppelin, T., Pedersen, K. B., Berglund, N. A., Periole, X. & Schiøtt, B. (2021).
Effect of palmitoylation on the dimer formation of the human dopamine transporter.
Scientific Reports,
11(1), Article 4164.
https://doi.org/10.1038/s41598-021-83374-y
Kjølbye, L. R., De Maria, L., Wassenaar, T. A., Abdizadeh, H., Marrink, S. J., Ferkinghoff-Borg, J.
& Schiøtt, B. (2021).
General Protocol for Constructing Molecular Models of Nanodiscs.
Journal of Chemical Information and Modeling,
61(6), 2869-2883.
https://doi.org/10.1021/acs.jcim.1c00157
Strazdaite, S.
, Roeters, S. J., Sakalauskas, A., Sneideris, T., Kirschner, J.
, Pedersen, K. B., Schiøtt, B., Jensen, F., Weidner, T., Smirnovas, V. & Niaura, G. (2021).
Interaction of Amyloid-β-(1-42) Peptide and Its Aggregates with Lipid/Water Interfaces Probed by Vibrational Sum-Frequency Generation Spectroscopy.
Journal of Physical Chemistry B,
125(40), 11208-11218.
https://doi.org/10.1021/acs.jpcb.1c04882
Bavnhøj, L., Paulsen, P. A., Flores-Canales, J. C., Schiøtt, B. & Pedersen, B. P. (2021).
Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H+ symporter STP10.
Nature Plants,
7(10), 1409-1419.
https://doi.org/10.1038/s41477-021-00992-0
Cheng, B., Morstein, J.
, Ladefoged, L. K., Maesen, J. B., Schiøtt, B., Sinning, S. & Trauner, D. (2020).
A Photoswitchable Inhibitor of the Human Serotonin Transporter.
ACS Chemical Neuroscience,
11(9), 1231-1237.
https://doi.org/10.1021/acschemneuro.9b00521
Ingólfsson, H. I., Bhatia, H.
, Zeppelin, T., Bennett, W. F. D., Carpenter, K. A.
, Hsu, P. C., Dharuman, G., Bremer, P. T.
, Schiøtt, B., Lightstone, F. C. & Carpenter, T. S. (2020).
Capturing Biologically Complex Tissue-Specific Membranes at Different Levels of Compositional Complexity.
The journal of physical chemistry. B,
124(36), 7819-7829.
https://doi.org/10.1021/acs.jpcb.0c03368
Alijanvand, S. H., Christensen, M. H., Christiansen, G., Harikandei, K. B., Salehi, P.
, Schiøtt, B., Moosavi-Movahedi, A. A.
& Otzen, D. E. (2020).
Novel noscapine derivatives stabilize the native state of insulin against fibrillation.
International Journal of Biological Macromolecules,
147, 98-108.
https://doi.org/10.1016/j.ijbiomac.2020.01.061
Oliva, F.
, Flores-Canales, J. C., Pieraccini, S., Morelli, C. F., Sironi, M.
& Schiøtt, B. (2020).
Simulating Multiple Substrate-Binding Events by γ-Glutamyltransferase Using Accelerated Molecular Dynamics.
Journal of Physical Chemistry B,
124(45), 10104-10116.
https://doi.org/10.1021/acs.jpcb.0c06907
Bengtsen, T., Holm, V. L.
, Kjølbye, L. R., Midtgaard, S. R., Johansen, N. T., Tesei, G., Bottaro, S.
, Schiøtt, B., Arleth, L. & Lindorff-Larsen, K. (2020).
Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations.
eLife,
9, 1-24. Article e56518.
https://doi.org/10.7554/eLife.56518
Munro, L.
, Ladefoged, L. K., Padmanathan, V.
, Andersen, S., Schiøtt, B. & Kristensen, A. S. (2019).
Conformational changes in the 5-HT3A receptor extracellular domain measured by voltage-clamp fluorometry.
Molecular Pharmacology,
96(6), 720-734.
https://doi.org/10.1124/mol.119.116657
Kjolbye, L. R., Laustsen, A., Vestergaard, M., Periole, X., De Maria, L., Svendsen, A.
, Coletta, A. & Schiott, B. (2019).
Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation.
Journal of Chemical Information and Modeling,
59(5), 1977-1987.
https://doi.org/10.1021/acs.jcim.8b00857