Institut for Kemi

Aarhus Universitets segl

Publikationer fra Institut for Kemi

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Poghosyan, A. H., Schafer, N., Lyngsø, J., Shahinyan, A. A., Pedersen, J. S. & Otzen, D. (2019). Molecular dynamics study of ACBP denaturation in alkyl sulfates demonstrates possible pathways of unfolding through fused surfactant clusters. Protein Engineering, Design and Selection, 32(4), 175-190. Artikel gzz037. https://doi.org/10.1093/protein/gzz037
Poier, P. P., Lagardère, L., Piquemal, J. P. & Jensen, F. (2019). Molecular Dynamics Using Nonvariational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation, and Application to the Bond Capacity Model. Journal of Chemical Theory and Computation, 15(11), 6213-6224. https://doi.org/10.1021/acs.jctc.9b00721
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
Ladefoged, L. K., Zeppelin, T. & Schiøtt, B. (2019). Molecular modeling of neurological membrane proteins − from binding sites to synapses. Neuroscience Letters, 700, 38-49. https://doi.org/10.1016/j.neulet.2018.05.034
Karamatskos, E. T., Raabe, S., Mullins, T., Trabattoni, A., Stammer, P., Goldsztejn, G., Johansen, R. R., Długołecki, K., Stapelfeldt, H., Vrakking, M. J. J., Trippel, S., Rouzée, A. & Küpper, J. (2019). Molecular movie of ultrafast coherent rotational dynamics of OCS. Nature Communications, 10(1), Artikel 3364. https://doi.org/10.1038/s41467-019-11122-y

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Revideret 01.06.2026
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Institut for Kemi