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Andreasen, M., Skeby, K. K., Zhang, S., Nielsen, E. H., Klausen, L. H., Frahm, H., Christiansen, G., Skrydstrup, T., Dong, M., Schiøtt, B. & Otzen, D. (2014). The Importance of Being Capped: Terminal Capping of an Amyloidogenic Peptide Affects Fibrillation Propensity and Fibril Morphology. Biochemistry, 53(44), 6968-6980. https://doi.org/10.1021/bi500674u

Kold, D., Dauter, Z., Laustsen, A., M. Brzozowski, A., P. Turkenburg, J., D. Nielsen, A., Koldsø, H., Petersen, E., Schiøtt, B., De Maria, L., S. Wilson, K., Svendsen, A. & Wimmer, R. (2014). Thermodynamic and structural investigation of the specific SDS binding of humicola insolens cutinase. Protein Science, 23(8), 1023-1035. https://doi.org/10.1002/pro.2489

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

Jensen, F. (2013). Analysis of energy-optimized Gaussian basis sets for condensed phase density functional calculations. Theoretical Chemistry Accounts, 132(8), [1380]. https://doi.org/10.1007/s00214-013-1380-6

Jensen, F. (2013). Atomic orbital basis sets. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3(3), 273-295. https://doi.org/10.1002/wcms.1123

Ladefoged, L. K., Schiøtt, B., Wilson, J. & Amaro, R. (2013). Binding of fluorescent neurotransmitter analogs to the human serotonin transporter explored using molecular mechanics. Poster session presented at Biology & chemistry computational research, San Diego, CA, United States. http://biochemcore.ucsd.edu/

Koldsø, H., B. Christiansen, A., Sinning, S. & Schiøtt, B. (2013). Comparative Modelling of the Human Monoamine Transporters. A C S Chemical Neuroscience, 4, 295-309. https://doi.org/10.1021/cn300148r

Grouleff, J., Søndergaard, S. & Schiøtt, B. (2013). Conformational Stability and Substrate Translocation: A Computational Study of the Leucine Transporter. Biophysical Journal, 104(2), 407a-408b. https://doi.org/10.1016/j.bpj.2012.11.2272

Schiøtt, B. (Producer) & Skeby, K. K. (Producer). (2013). Cover art in JACS, October 9th 2013. 2D/3D (psysical products), American Chemical Society. http://pubs.acs.org/action/showLargeCover?jcode=jacsat&vol=135&issue=40

Skeby, K. K. & Schiøtt, B. (2013). Dansk studerende rydder forsiden af amerikansk kemi-tidsskrift. Videnskab.dk. http://videnskab.dk/teknologi/dansk-studerende-rydder-forsiden-af-amerikansk-kemi-tidsskrift

Versolato, O. O., Schwarz, M., Hansen, A. K., Gingell, A. D., Windberger, A., Kłosowski, L., Ullrich, J., Jensen, F., Crespo López-Urrutia, J. R. & Drewsen, M. (2013). Decay Rate Measurement of the First Vibrationally Excited State of MgH⁺ in a Cryogenic Paul Trap. Physical Review Letters, 111(5), 053002. https://doi.org/10.1103/PhysRevLett.111.053002

Jakobsen, S., Kristensen, K. & Jensen, F. (2013). Electrostatic potential of insulin: Exploring the limitations of density functional theory and force field methods. Journal of Chemical Theory and Computation, 9(9), 3978-3985. https://doi.org/10.1021/ct400452f

Sørensen, J., Palmer, D. S. & Schiøtt, B. (2013). Hot-Spot Mapping the Interactions between Chymosin and Bovine κ-Casein. Journal of Agricultural and Food Chemistry, 61(33), 7949-7959 . https://doi.org/10.1021/jf4021043

Skeby, K. K., Sørensen, J. & Schiøtt, B. (2013). Identification of a Common Binding Mode for Imaging Agents to Amyloid Fibrils from Molecular Dynamics Simulations. Journal of the American Chemical Society, 135(40), 15114–15128. https://doi.org/10.1021/ja405530p

Bublitz, M., Musgaard, M., Poulsen, H., Thøgersen, L., Olesen, C., Schiøtt, B., Morth, P., Møller, J. V. & Nissen, P. (2013). Ion Pathways in the Sarcoplasmic Reticulum Ca²⁺-ATPase. Journal of Biological Chemistry, 288, 10759-10765. https://doi.org/10.1074/jbc.R112.436550

Schiøtt, B. (Producer) & Skeby, K. K. (Producer). (2013). JACS Cover Art Podcast #46. Pictures, Video and sound recordings (digital), American Chemical Society. http://pubs.acs.org/JACSbeta/coverartpodcasts/index.html

Koldsø, H., Autzen, H. E., Grouleff, J. & Schiøtt, B. (2013). Ligand induced conformational changes of the human serotonin transporter revealed by molecular dynamics simulations. P L o S One, 8(6), [e63635]. https://doi.org/10.1371/journal.pone.0063635

Underhaug, J., Koldsø, H., Runager, K., Nielsen, J. T., Sørensen, C. S., Kristensen, T., Otzen, D., Karring, H., Malmendal, A., Schiøtt, B., Enghild, J. J. & Nielsen, N. C. (2013). Mutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilization. BBA General Subjects, 1834(12), 2812–2822. https://doi.org/10.1016/j.bbapap.2013.10.008

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

Palmer, D. S., Sørensen, J., Schiøtt, B. & Fedorov, M. V. (2013). Solvent Binding Analysis and Computational Alanine Scanning of the Bovine Chymosin-Bovine κ-Casein Complex Using Molecular Integral Equation Theory. Journal of Chemical Theory and Computation, 9(12), 5706-5717. https://doi.org/10.1021/ct400605x

Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Morishita, T. (2013). Structure factors for tunneling ionization rates of molecules. Physical Review A, 87(1), 013406. https://doi.org/10.1103/PhysRevA.87.013406

Varbanov, H. P., Jakupec, M. A., Roller, A., Jensen, F., Galanski, M. & Keppler, B. K. (2013). Theoretical investigations and density functional theory based quantitative structure activity relationships model for novel cytotoxic Pt(IV) complexes. Journal of Medicinal Chemistry, 56(1), 330-344. https://doi.org/10.1021/jm3016427

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

Thomsen, M. K., Jensen, F. & Iversen, B. B. (2012). A study of different DFT functionals for the description of charge transfer states in the photomagnetic compound [Nd(C3H7NO)4(H2O)3]-μ-CN[Fe(CN)5]·H2O. Poster session presented at iNANO Annual Meeting 2012, Aarhus, Denmark.

Hedegård, E. D., Jensen, F. & Kongsted, J. (2012). Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths. Journal of Chemical Theory and Computation, 8(11), 4425–4433. https://doi.org/10.1021/ct300359s

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Revised 09.06.2022