Zeppelin, T., Ladefoged, L. K., Sinning, S. & Schiøtt, B. (2019). Substrate and inhibitor binding to the serotonin transporter: Insights from computational, crystallographic, and functional studies. Neuropharmacology, 161, [107548]. https://doi.org/10.1016/j.neuropharm.2019.02.030

Madsen, M. M., Jensen, F., Jensen, S. K. & Thøgersen, J. (2019). The primary photo-dissociation dynamics of carboxylate anions in aqueous solution: decarboxylation. Physical Chemistry Chemical Physics, 21(14), 7358-7366. https://doi.org/10.1039/c8cp07621a

Dnestryan, A. I., Tolstikhin, O. I., Jensen, F. & Madsen, L. B. (2019). Torsional effects in strong-field ionization of molecules. Physical Review Research , 1(2), [023018]. https://doi.org/10.1103/PhysRevResearch.1.023018

Bregnhøj, M., Strunge, K., Sørensen, R. J., Ströbele, M., Hummel, T., Meyer, H. J., Jensen, F. & Ogilby, P. R. (2019). Tungsten Iodide Clusters as Singlet Oxygen Photosensitizers: Exploring the Domain of Resonant Energy Transfer at 1 eV. Journal of Physical Chemistry A, 123(9), 1730-1739. https://doi.org/10.1021/acs.jpca.9b00541

Zeppelin, T., Ladefoged, L. K., Sinning, S., Periole, X. & Schiøtt, B. (2018). A direct interaction of cholesterol with the dopamine transporter prevents its out-to-inward transition. PLOS Computational Biology, 14(1), [e1005907]. https://doi.org/10.1371/journal.pcbi.1005907

Kumar, C., Fliegl, H., Jensen, F., Teale, A. M., Reine, S. & Kjærgaard, T. (2018). Accelerating Kohn-Sham response theory using density fitting and the auxiliary-density-matrix method. International Journal of Quantum Chemistry, 118(16), [e25639]. https://doi.org/10.1002/qua.25639

Laursen, L., Kristensen, K. B., Periole, X., Overby, M., Müller, H. K., Schiøtt, B. & Sinning, S. (2018). Cholesterol binding to a conserved site modulates conformation, pharmacology and transport kinetics of the human serotonin transporter. Journal of Biological Chemistry, 293(10), 3510-3523. https://doi.org/10.1074/jbc.M117.809046

Aggelund, P. A., Sauer, S. P. A. & Jensen, F. (2018). Development of polarization consistent basis sets for spin-spin coupling constant calculations for the atoms Li, Be, Na, and Mg. Journal of Chemical Physics, 149(4), [044117]. https://doi.org/10.1063/1.5034109

Periole, X., Zeppelin, T. & Schiøtt, B. (2018). Dimer Interface of the Human Serotonin Transporter and Effect of the Membrane Composition. Scientific Reports, 8(1), [22912]. https://doi.org/10.1038/s41598-018-22912-7

Pérez, B., Coletta, A., Pedersen, J. N., Petersen, S. V., Periole, X., Pedersen, J. S., Sessions, R. B., Guo, Z., Perriman, A. & Schiøtt, B. (2018). Insight into the molecular mechanism behind PEG-mediated stabilization of biofluid lipases. Scientific Reports, 8(1), [12293]. https://doi.org/10.1038/s41598-018-29871-z

Jensen, F. (2018). Method Calibration or Data Fitting? Journal of Chemical Theory and Computation, 14(9), 4651-4661. https://doi.org/10.1021/acs.jctc.8b00477

Ladefoged, L. K., Munro, L. J., Juel Pedersen, A., Lummis, S. C. R., Bang-Andersen, B., Balle, T., Schiøtt, B. & Kristensen, A. S. (2018). Modeling and mutational analysis of the binding mode for the multimodal antidepressant drug vortioxetine to the human 5-HT3A receptor. Molecular Pharmacology, 94(6), 1421-1434. https://doi.org/10.1124/mol.118.113530

Ansari, S. M., Sørensen, J., Schiøtt, B. & Palmer, D. S. (2018). On the effect of mutations in bovine or camel chymosin on the thermodynamics of binding κ-caseins. Proteins: Structure, Function and Bioinformatics, 86(1), 75-87. https://doi.org/10.1002/prot.25410

Pedersen, M. T., Jensen, F. & Skibsted, J. (2018). Structural Investigation of Ye'elimite, Ca₄Al₆O₁₂SO₄, by ²⁷Al MAS and MQMAS NMR at Different Magnetic Fields. Journal of Physical Chemistry C, 122(22), 12077-12089. https://doi.org/10.1021/acs.jpcc.8b02497

Dnestryan, A. I., Tolstikhin, O. I., Madsen, L. B. & Jensen, F. (2018). Structure factors for tunneling ionization rates of molecules: General grid-based methodology and convergence studies. The Journal of Chemical Physics, 149(16), 164107-1 - 164107-9. https://doi.org/10.1063/1.5046902

Friedman, R., Khalid, S., Aponte-Santamaría, C., Arutyunova, E., Becker, M., Boyd, K. J., Christensen, M. H., Coimbra, J. T. S., Concilio, S., Daday, C., van Eerden, F. J., Fernandes, P. A., Gräter, F., Hakobyan, D., Heuer, A., Karathanou, K., Keller, F., Lemieux, M. J., Marrink, S. J. ... Domene, C. (2018). Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology. Journal of Membrane Biology, 251(5-6), 609-631. https://doi.org/10.1007/s00232-018-0050-y

Warrick, E. R., Baekhoj, J. E., Cao, W., Fidler, A. P., Jensen, F., Madsen, L. B., Leone, S. R. & Neumark, D. M. (2017). Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b' ¹Σ⁺_u statestate⁺. Chemical Physics Letters, 683, 408-415. https://doi.org/10.1016/j.cplett.2017.02.013

Flinker, M., Lopez, S., Nielsen, D. U., Daasbjerg, K., Jensen, F. & Skrydstrup, T. (2017). Experimental and Theoretical Studies on the Reduction of CO₂ to CO with Chloro(methyl)disilane Components from the Direct Process. SYNLETT: Accounts and Rapid Communications in Chemical Synthesis, 28(18), 2439-2444. https://doi.org/10.1055/s-0036-1590840

Jensen, F. (2017). How Large is the Elephant in the Density Functional Theory Room? Journal of Physical Chemistry A, 121(32), 6104-6107. https://doi.org/10.1021/acs.jpca.7b04760

Vestergaard, M., Christensen, M., Hansen, S. K., Gronvall, D., Kjolbye, L. R., Vosegaard, T. & Schiott, B. (2017). How a short pore forming peptide spans the lipid membrane. Biointerphases, 12(2), [02D405]. https://doi.org/10.1116/1.4982642

Christensen, M., Skeby, K. K. & Schiott, B. (2017). Identification of Key Interactions in the Initial Self-Assembly of Amylin in a Membrane Environment. Biochemistry, 56(36), 4884-4894. https://doi.org/10.1021/acs.biochem.7b00344

Grouleff, J., Koldsø, H., Miao, Y. & Schiøtt, B. (2017). Ligand Binding in the Extracellular Vestibule of the Neurotransmitter Transporter Homologue LeuT. ACS Chemical Neuroscience, 8(3), 619-628. https://doi.org/10.1021/acschemneuro.6b00359

Harczuk, I., Nagy, B., Jensen, F., Vahtras, O. & Ågren, H. (2017). Local decomposition of imaginary polarizabilities and dispersion coefficients. Physical Chemistry Chemical Physics, 19(30), 20241-20250. https://doi.org/10.1039/c7cp02399e