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
Free 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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Collaborations and top research areas from the last five years
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Anion-Specific Adsorption of Carboxymethyl Cellulose on Cellulose
Arumughan, V., Özeren, H. D., Hedenqvist, M., Skepö, M., Nypelö, T., Hasani, M. & Larsson, A., 2023 Oct 11, In: Langmuir : the ACS journal of surfaces and colloids. 39, 42, p. 15014-15021Research output: Contribution to journal › Article › peer-review
Open Access -
Comparative Performance of Computer Simulation Models of Intrinsically Disordered Proteins at Different Levels of Coarse-Graining
Fagerberg, E. & Skepö, M., 2023, In: Journal of Chemical Information and Modeling. 63, 13, p. 4079-4087Research output: Contribution to journal › Article › peer-review
Open Access -
Interaction of a Histidine-Rich Antimicrobial Saliva Peptide with Model Cell Membranes: The Role of Histidines
Eriksson Skog, A., Corucci, G., Tully, M. D., Fragneto, G., Gerelli, Y. & Skepö, M., 2023 Jun 6, In: Langmuir : the ACS journal of surfaces and colloids. 39, 22, p. 7694-7706 13 p.Research output: Contribution to journal › Article › peer-review
Open Access -
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 Access -
From dilute to concentrated solutions of intrinsically disordered proteins: Interpretation and analysis of collected data
Lenton, S., Fagerberg, E., Tully, M. & Skepö, M., 2022, (E-pub ahead of print) Small Angle Scattering Part B: Methods for Structural Interpretation. Tainer, J. A. (ed.). Academic Press, (Methods in Enzymology).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
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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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LINXS: LINXS 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
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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