Research output per year
Research output per year
Personal profile
Research
Marie Skepö, Professor in Theoretical Chemistry at Lund University in Sweden, vice-director of LINXS - Lund Institute of Advanced Neutron and X-ray Science: http://www.linxs.se.
Research projects:
- To reveal static and dynamic properties of intrinsically disordered proteins (IDPs) to provide a deeper understanding of the mechanism of action and the static as well as dynamic structure-function relationship.
- Establish a quantitative link between polymer theory, computer simulations, and experiments, predominantly scattering, for IDPs.
- Pushing the boundaries regarding analyzing scattering data with computer simulations.
- Structural and thermodynamical properties of colloids with focus on anisotropic particles (clay).
For this purpose, atomistic and coarse-grained MD/MC simulations are used in combination with scattering, spectroscopy, and surface adsorption techniques.
UKÄ subject classification
- Physical Chemistry
- Theoretical Chemistry
Keywords
- intrinsically disordered proteins
- surface and colloid chemistry
- biomolecular interactions
- Atomistic and coarse-grained modeling
- molecular dynamics
- Monte Carlo simulations
- clay
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Clustering and cross-linking of the wheat storage protein α-gliadin: A combined experimental and theoretical approach
Markgren, J., Rasheed, F., Hedenqvist, M. S., Skepö, M. & Johansson, E., 2022, In: International Journal of Biological Macromolecules. 211, p. 592-615 24 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (SciVal) -
From dilute to concentrated solutions of intrinsically disordered proteins: Sample preparation and data collection
Lenton, S., Tully, M. D. & Skepö, M., 2022 Oct, (E-pub ahead of print) Methods in Enzymology. Academic Press, 22 p. (Methods in Enzymology).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
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Molecular dynamics simulations and solid-state nuclear magnetic resonance spectroscopy measurements of C–H bond order parameters and effective correlation times in a POPC-GM3 bilayer
Fridolf, S., Koder Hamid, M., Svenningsson, L., Skepö, M., Sparr, E. & Topgaard, D., 2022 Oct 6, In: Physical Chemistry Chemical Physics. 24, 41, p. 25588-25601 14 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments
Koder Hamid, M., Månsson, L. K., Meklesh, V., Persson, P. & Skepö, M., 2022 Oct, In: Frontiers in Molecular Biosciences. 9, 14 p., 958175.Research output: Contribution to journal › Article › peer-review
Open Access -
Building polymer-like clusters from colloidal particles with isotropic interactions, in aqueous solution
Haddadi, S., Skepö, M., Jannasch, P., Manner, S. & Forsman, J., 2021, In: Journal of Colloid and Interface Science. 581, p. 669-681 13 p.Research output: Contribution to journal › Article › peer-review
Open Access10 Citations (SciVal)
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eSSENCE@LU 8:1 - Assembling a toolbox for atomistic simulations of clay: Validation of experiments and coarse-grained modelling
Skepö, M., Koder Hamid, M. & Holmboe, M.
2022/01/01 → 2023/12/31
Project: Research
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Understanding the relation between osmotic pressure and structure of calcium montmorillonite
Hedstrom, M., Skepö, M. & Plivelic, T.
2021/11/01 → 2022/12/31
Project: Research
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LINXS - Lund Institute of advanced Neutron and X-ray Science
Hall, S., Mokso, R., Ntinidou, A., Egan, N., Grunning, Å., Terry, A., Olmsted , P., Richter, D., Lund, M., Schurtenberger, P., Skepö, M., Stradner, A., Sparr, E., Jönsson, P., Nylander, T., Stankovski, M., Cárdenas, M., Dicko, C., Arleth, L., Kragelund, B. B., Lindorff-Larsen, K., Lenton, S., Sparr, E., Jacobsen, C., Poulsen, H., Mokso, R., Thånell, K., Jacobsen, C., Bech, M., Paterson, D., Schwenke, J., Johansson, U., Nilsson, B., Dell'Unto, N., Dal, L., Calner, M., Hammer, E., Pucetaite, M., Tunlid, A., Floudas, D., Gentile, L., Op de Beeck, M., Persson, P., Lagerstedt, J., Horsefield, S., Ursby, T., Oksanen, E., Ryde, U., Nan, J., André, I. & Aits, S.
Crafoord Foundation, Swedish Agency for Economic and Regional Growth
2017/06/07 → …
Project: Network