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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

Besenbacher, F., Jensen, F., Lægsgaard, E., Mortensen, K. & Stensgaard, I. (1990). Visualization of the dynamics in surface reconstructions. J. Vac. Sci. Tech., B9, 874.

Jensen, F. (2017). Using valence bond methods to estimate intramolecular basis set superposition errors. Journal of Chemical Physics, 146(18), Article 184109. https://doi.org/10.1063/1.4983229

Sørensen, J., Hamelberg, D., Schiøtt, H. B. & McCammon, J. A. (2007). Using Molecular Dynamics to Investigate Properties of Transthyretin. Poster session presented at 5th Annual iNANO Symposium, Århus, Denmark.

Sørensen, J., Hamelberg, D., Schiøtt, H. B. & McCammon, J. A. (2007). Using Molecular Dynamics to Investigate Properties of Fibrillating Proteins. Poster session presented at Novo Scholarship Symposium, Bagsværd, Denmark.

Jensen, F. (2003). Using force fields methods for locating transition structures. Journal of Chemical Physics, 119(17), 8804-8808. https://doi.org/10.1063/1.1613931

Jensen, F. (2022). Using atomic charges to model molecular polarization. Physical Chemistry Chemical Physics, 24(4), 1926-1943. https://doi.org/10.1039/d1cp03542h

Jensen, F. (2014). Unifying general and segmented contracted basis sets. Segmented polarization consistent basis sets. Journal of Chemical Theory and Computation, 10(3), 1074-1085. https://doi.org/10.1021/ct401026a

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

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

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

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

Nygaard, S., Hansen, S. W., Huffman, J. C., Jensen, F., Flood, A. H. & Jeppesen, J. O. (2007). Two Classes of Alongside Charge-transfer Interactions Defined in One [2]Catenane. Journal of the American Chemical Society, (129), 7354-7363. https://doi.org/10.1021/ja069047w

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

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 from Psykiatriens 3. Forskningsdag, Risskov, Denmark.

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 from Gordon Research Conference, Membrane Transport Proteins, Il Ciocco, Italy.

Vance, R. L., Rondan, N. G., Houk, K. N., Jensen, F., Borden, W. T., Komornicki, A. & Wimmer, E. (1988). Transition structures for the Claisen rearrangement. Journal of the American Chemical Society, 110(7), 2314-2315. https://doi.org/10.1021/ja00215a059

Jensen, F. (1994). Transition Structure Modeling by Intersecting Potential Energy Surfaces. Journal of Computational Chemistry, 15, 1199-1216. https://doi.org/10.1002/jcc.540151103

Jensen, F. & Norrby, P-O. (2003). Transition states from empirical force fields. Theoretical Chemistry Accounts, 109(1), 1-7. https://doi.org/10.1007/s00214-002-0382-6

Glad, S. S. & Jensen, F. (1997). Transition State Looseness and α-Secondary Kinetic Isotope Effects. Journal of American Chemical Society, 119, 227-232.

Musgaard, M., Thøgersen, L., Schiøtt, B. & Tajkhorshid, E. (2012). Tracing Cytoplasmic Ca²⁺ Ion and Water Access Points in the Ca²⁺-ATPase. Biophysical Journal, 102(2), 268-277. https://doi.org/10.1016/j.bpj.2011.12.009

Zubarev, R. A., Haselmann, K. F., Budnik, B., Kjeldsen, F. & Jensen, F. (2002). Towards an understanding of the mechanism of electron-capture dissociation: A historical perspective and modern ideas. European Journal of Mass Spectrometry, 8(5), 337-349. https://doi.org/10.1255/ejms.517

Andersen, O. J., Grouleff, J., Needham, P., Walker, R. C. & Jensen, F. (2015). Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(46), 14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

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), Article 023018. https://doi.org/10.1103/PhysRevResearch.1.023018

Jensen, F. (1989). The walk rearrangement in bicyclo[2.1.0]pent-2-ene. An MCSCF study. Journal of the American Chemical Society, 111(13), 4643-4647. https://doi.org/10.1021/ja00195a018

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Revised 17.04.2023