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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

Grouleff, J., Sondergaard, S., Koldso, H. & Schiott, B. (2015). Properties of an Inward-Facing State of LeuT: Conformational Stability and Substrate Release. Biophysical Journal, 108(6), 1390-1399. https://doi.org/10.1016/j.bpj.2015.02.010

Sedghamiz, E., Nagy, B. & Jensen, F. (2017). Probing the Importance of Charge Flux in Force Field Modeling. Journal of Chemical Theory and Computation, 13(8), 3715-3721. https://doi.org/10.1021/acs.jctc.7b00296

Aznauryan, M., Sondergaard, S., Noer, S., Schiott, B. & Birkedal, V. (2016). Probing the Folding Dynamics of Human Telomeric G-Quadruplex with Single-Molecule FRET. Biophysical Journal, 110(3), 406A-406A. https://doi.org/10.1016/j.bpj.2015.11.2194

Jakobsen, P. & Jensen, F. (2019). Probing basis set requirements for calculating hyperfine coupling constants. Journal of Chemical Physics, 151(17), [174107]. https://doi.org/10.1063/1.5128286

Ambroise, M. A. & Jensen, F. (2019). Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectroscopy by the Δ Self-Consistent-Field Approach. Journal of Chemical Theory and Computation, 15(1), 325-337. https://doi.org/10.1021/acs.jctc.8b01071

Ambroise, M. A., Dreuw, A. & Jensen, F. (2021). Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectra Using Correlated Wave Function Methods. Journal of Chemical Theory and Computation, 17(5), 2832-2842. https://doi.org/10.1021/acs.jctc.1c00042

Thøgersen, J., Kissner, R., Nauser, T., Koppenol, W. H., Richter, B., Jensen, F., Keiding, S. R. & Jensen, S. K. (2015). Primary photochemistry of peroxynitrite in aqueous solution. Chemical Physics Letters, 641, 187-192. https://doi.org/10.1016/j.cplett.2015.10.056

Palmer, D. S. & Jensen, F. (2011). Predicting large-scale conformational changes in proteins using energy-weighted normal modes. Proteins: Structure, Function, and Bioinformatics, 79(10), 2778-93. https://doi.org/10.1002/prot.23105

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), [2200113]. https://doi.org/10.1002/adtp.202200113

Jensen, F. (2013). Polarization consistent basis sets. VIII. the transition metals Sc-Zn. Journal of Chemical Physics, 138(1), [014107]. https://doi.org/10.1063/1.4773017

Jensen, F. & Helgaker, T. (2004). Polarization consistent basis sets. V. The elements Si-Cl. Journal of Chemical Physics, 121(8), 3463-3470. https://doi.org/10.1063/1.1756866

Jensen, F. (2003). Polarization consistent basis sets. IV. The basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities. Journal of Chemical Physics, 118(6), 2459-2463. https://doi.org/10.1063/1.1535905

Jensen, F. (2002). Polarization consistent basis sets. III. The importance of diffuse functions. Journal of Chemical Physics, 117(20), 9234-9240. https://doi.org/10.1063/1.1515484

Jensen, F. (2001). Polarization consistent basis sets Principles. Journal of Chemical Physics, 115(20), 9113-9125. https://doi.org/10.1063/1.1413524

Jensen, F. (2002). Polarization consistent basis sets II. Estimating the Kohn-Sham basis set limit. Journal of Chemical Physics, 116(17), 7372-7379. https://doi.org/10.1063/1.1465405

Jensen, F. (2012). Polarization Consistent Basis Sets. VII. The Elements K, Ca, Ga, Ge, As, Se, Br and Kr. Journal of Chemical Physics, 136(11). https://doi.org/10.1063/1.3690460

Jensen, F. (2007). Polarization Consistent Basis Sets. VI. The Elements He, Li, Be, B, Ne, Na, Mg, Al, Ar. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, (111), 11198-11204. https://doi.org/10.1021/jp068677h

Poier, P. P. & Jensen, F. (2020). Polarizable charges in a generalized Born reaction potential. The Journal of Chemical Physics, 153(2), [024111]. https://doi.org/10.1063/5.0012022

Medrano, J., Mark, J. E., Jensen, F. & Molnar, F. (1995). Physical Basis for the Small Bandgap Observed in Some Novel Organic Polyradicals. Comp. Pol. Sci., 5, 71-75.

Svendsen, H., Overgaard, J., Chevallier, M. A., Collet, E., Chen, Y-S., Jensen, F. & Iversen, B. B. (2010). Photomagnetic Switching of Heterometallic Complexes [M(dmf)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]center dot H2O (M = Nd, La, Gd, Y) Analyzed by Single-Crystal X-ray Diffraction and Ab Initio Theory. Chemistry: A European Journal, 16, 7215-7223.

Nicolaides, A., Smith, D. M., Jensen, F. & Radom, L. (1997). Phenyl radical, cation, and anion. The triplet-singlet gap and higher excited states of the phenyl cation. Journal of the American Chemical Society, 119(34), 8083-8088. https://doi.org/10.1021/ja970808s

Thøgersen, L., Schiøtt, B., Vosegaard, T., Nielsen, N. C. & Tajkhorshid, E. (2008). Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study. Biophysical Journal, 95(9), 4337-4347. https://doi.org/10.1529/biophysj.108.133330

Yatime, L., Buch-Pedersen, M. J., Musgaard, M., Morth, J. P., Winther, A-M. L., Pedersen, B. P., Olesen, C. E., Andersen, J. P., Vilsen, B., Schiøtt, H. B., Palmgren, M., Møller, J. V., Nissen, P. & Fedosova, N. (2009). P-type ATPases as drug targets: Tools for medicine and science. B B A - Bioenergetics, 1787(4), 207-20.

Musgaard, M. & Schiøtt, H. B. (2008). P-Type ATPases - the Catalytic Cycle. Poster session præsenteret ved ISQBP President's Meeting, Ascona, Schweiz.

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Revideret 09.06.2022