Marie Skepö

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

Simon Fridolf, Mona Koder Hamid, Leo Svenningsson, Marie Skepö, Emma Sparr, et al.
(2022) Physical Chemistry Chemical Physics, 24 p.25588-25601
Journal article

From dilute to concentrated solutions of intrinsically disordered proteins: Sample preparation and data collection

Samuel Lenton, Mark D. Tully, Marie Skepö
(2022) Methods in Enzymology, 677 p.457-478
Book chapter

Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments

Mona Koder Hamid, Linda K. Månsson, Viktoriia Meklesh, Per Persson, Marie Skepö
(2022) Frontiers in Molecular Biosciences, 9
Journal article

Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity

Stephanie Jephthah, Francesco Pesce, Kresten Lindorff-Larsen, Marie Skepö
(2021) Journal of Chemical Theory and Computation, 17 p.6634-6646
Journal article

The effect of multisite phosphorylation on the conformational properties of intrinsically disordered proteins

Ellen Rieloff, Marie Skepö
(2021) International Journal of Molecular Sciences, 22
Journal article

Molecular dynamics simulations of phosphorylated intrinsically disordered proteins : A force field comparison

Ellen Rieloff, Marie Skepö
(2021) International Journal of Molecular Sciences, 22
Journal article

From Attraction to Repulsion to Attraction: Non-Monotonic Temperature Dependence of Polymer-Mediated Interactions in Colloidal Dispersions

Sara Haddadi, Marie Skepö, Jan Forsman
(2021) ACS Nanoscience AU, 1 p.69-80
Journal article

Building polymer-like clusters from colloidal particles with isotropic interactions, in aqueous solution

Sara Haddadi, Marie Skepö, Patric Jannasch, Sophie Manner, Jan Forsman
(2021) Journal of Colloid and Interface Science, 581 p.669-681
Journal article

Impact of arginine−phosphate interactions on the reentrant condensation of disordered proteins

Samuel Lenton, Stefan Hervø-Hansen, Anton M. Popov, Mark D. Tully, Mikael Lund, et al.
(2021) Biomacromolecules, 22 p.1532-1544
Journal article

The Effects of Chain Length on the Structural Properties of Intrinsically Disordered Proteins in Concentrated Solutions

Eric Fagerberg, Linda K. Mansson, Samuel Lenton, Marie Skepo
(2021) Journal of Physical Chemistry B, 124 p.11843-11853
Journal article

Integrating All-Atom and Coarse-Grained Simulations - Toward Understanding of IDPs at Surfaces

Kristin Hyltegren, Marco Polimeni, Marie Skepö, Mikael Lund
(2020) Journal of Chemical Theory and Computation, 16 p.1843-1853
Journal article

Physicochemical characterisation of KEIF€-the intrinsically disordered N-terminal region of magnesium transporter A

Stéphanie Jephthah, Linda K. Månsson, Domagoj Belić, Jens Preben Morth, Marie Skepö
(2020) Biomolecules, 10
Journal article

Nanoplatelet interactions in the presence of multivalent ions : The effect of overcharging and stability

Maria Jansson, Domagoj Belić, Jan Forsman, Marie Skepö
(2020) Journal of Colloid and Interface Science, 579 p.573-581
Journal article

Glutenin and gliadin, a piece in the puzzle of their structural properties in the cell described through monte carlo simulations

Joel Markgren, Mikael Hedenqvist, Faiza Rasheed, Marie Skepö, Eva Johansson
(2020) Biomolecules, 10
Journal article

Dynamical Oligomerisation of Histidine Rich Intrinsically Disordered ProteinS Is Regulated through Zinc-Histidine Interactions

Carolina Cragnell, Lasse Staby, Samuel Lenton, Birthe B. Kragelund, Marie Skepö
(2019) Biomolecules, 9
Journal article

Intercalation of cationic peptides within Laponite layered clay minerals in aqueous suspensions : The effect of stoichiometry and charge distance matching

Maria Jansson, Samuel Lenton, Tomás S. Plivelic, Marie Skepö
(2019) Journal of Colloid and Interface Science, 557 p.767-776
Journal article

Assessing the Intricate Balance of Intermolecular Interactions upon Self-Association of Intrinsically Disordered Proteins

Ellen Rieloff, Mark D. Tully, Marie Skepö
(2019) Journal of Molecular Biology, 431 p.511-523
Journal article

Utilizing Coarse-Grained Modeling and Monte Carlo Simulations to Evaluate the Conformational Ensemble of Intrinsically Disordered Proteins and Regions

Carolina Cragnell, Ellen Rieloff, Marie Skepö
(2018) Journal of Molecular Biology, 430 p.2478-2492
Journal article

The effect of the relative permittivity on the tactoid formation in nanoplatelet systems. A combined computer simulation, SAXS, and osmotic pressure study

Maria Jansson, Axel Thuresson, Tomás S. Plivelic, Jan Forsman, Marie Skepö
(2018) Journal of Colloid and Interface Science, 513 p.575-584
Journal article

On the Calculation of SAXS Profiles of Folded and Intrinsically Disordered Proteins from Computer Simulations

João Henriques, Lise Arleth, Kresten Lindorff-Larsen, Marie Skepö
(2018) Journal of Molecular Biology, 430 p.2521-2539
Journal article

Bovine β-casein has a polydisperse distribution of equilibrium micelles

C. Cragnell, J. Choi, M. Segad, S. Lee, L. Nilsson, et al.
(2017) Food Hydrocolloids, 70 p.65-68
Journal article

Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study

Stephanie Jephthah, Joao Henriques, Carolina Cragnell, Sumant Puri, Mira Edgerton, et al.
(2017) Journal of Chemical Information and Modeling, 57 p.1330-1341
Journal article

Structural Characterization of Bubbles Formed in DNA Melting : A Monte Carlo Simulation Study

Ellen Rieloff, Sandra C C Nunes, Alberto A. C. C. Pais, Marie Skepö
(2017) ACS Omega, 2 p.1915-1921
Journal article

Adsorption of polyelectrolyte-like proteins to silica surfaces and the impact of pH on the response to ionic strength. A Monte Carlo simulation and ellipsometry study

Kristin Hyltegren, Marie Skepö
(2017) Journal of Colloid and Interface Science, 494 p.266-273
Journal article

Temperature Response of Charged Colloidal Particles by Mixing Counterions Utilizing Ca²⁺/Na⁺ Montmorillonite as Model System

Axel Thuresson, Maria Jansson, Tomás S. Plivelic, Marie Skepö
(2017) Journal of Physical Chemistry C, 121 p.7951-7958
Journal article

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: On the Accuracy of the TIP4P‐D Water Model and the Representativeness of Protein Disorder Models

Joao Henriques, Marie Skepö
(2016) Journal of Chemical Theory and Computation, 12 p.3407-3415
Journal article

In silico physicochemical characterization and comparison of two intrinsically disordered phosphoproteins : β-casein and acidic PRP-1

J. Henriques, S. Jephthah, M. Skepö
(2016) Food Hydrocolloids, 56 p.360-371
Journal article

Coarse-grained modelling of the intrinsically disordered protein Histatin 5 in solution. Monte Carlo simulations in combination with SAXS.

Carolina Cragnell, Dominique Durand, Bernard Cabane, Marie Skepö
(2016) Proteins
Journal article

Adsorption of the intrinsically disordered saliva protein histatin 5 to silica surfaces. A Monte Carlo simulation and ellipsometry study.

Kristin Hyltegren, Tommy Nylander, Mikael Lund, Marie Skepö
(2016) Journal of Colloid and Interface Science, 467 p.280-290
Journal article

A simple and versatile implicit solvent model for polyethylene glycol in aqueous solution at room temperature

Fei Xie, Martin Turesson, Maria Jansson, Marie Skepö, Jan Forsman
(2016) Polymer, 84 p.132-137
Journal article

Flocculated Laponite-PEG/PEO dispersions with monovalent salt, a SAXS and simulation study.

Axel Thuresson, Mo Segad, Martin Turesson, Marie Skepö
(2016) Journal of Colloid and Interface Science, 466 p.330-342
Journal article

Equation of state of PEG/PEO in good solvent. Comparison between a one-parameter EOS and experiments

Joaquim Li, Martin Turesson, Caroline Anderberg Haglund, Bernard Cabane, Marie Skepö
(2015) Polymer, 80 p.205-213
Journal article

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment

Joao Henriques, Carolina Cragnell, Marie Skepö
(2015) Journal of Chemical Theory and Computation, 11 p.3420-3431
Journal article

Confined polyelectrolytes: The complexity of a simple system.

Sandra C C Nunes, Marie Skepö, Alberto A C C Pais
(2015) Journal of Computational Chemistry, 36 p.1579-1586
Journal article

A coarse-grained model for flexible (phospho)proteins: Adsorption and bulk properties

Joao Henriques, Marie Skepö
(2015) Food Hydrocolloids, 43 p.473-480
Journal article

Adsorption of beta-casein to hydrophilic silica surfaces. Effect of pH and electrolyte

Olof Svensson, Anil Kurut Sabanoglu, Marie Skepö
(2014) Food Hydrocolloids, 36 p.332-338
Journal article

Effect of patchwise slip on fluid flow

Maria Pihl, Bengt Jönsson, Marie Skepö
(2014) Microfluidics and Nanofluidics, 17 p.341-347
Journal article

Role of histidine for charge regulation of unstructured peptides at interfaces and in bulk.

Anil Kurut Sabanoglu, Joao Henriques, Jan Forsman, Marie Skepö, Mikael Lund
(2014) Proteins, 82 p.657-667
Journal article

Underlying mechanisms behind adhesion of fermented milk to packaging surfaces

Carolina Cragnell, Kristina Hansson, Thorbjorn Andersson, Bengt Jönsson, Marie Skepö
(2014) Journal of Food Engineering, 130 p.52-59
Journal article

coating on adherence of Streptococcus oralis strains to titanium

Marjan Dorkhan, Luis E. Chavez de Paz, Marie Skepö, Gunnel Svensater, Julia R. Davies
(2012) Microbiology, 158 p.390-397
Journal article

Adsorption of Unstructured Protein beta-Casein to Hydrophobic and Charged Surfaces

Chris H. J. Evers, Thorbjorn Andersson, Mikael Lund, Marie Skepö
(2012) Langmuir, 28 p.11852-11858
Journal article

Adhesion of fermented diary products to packaging materials. Effect of material functionality, storage time, and fat content of the product. An empirical study

K. Hansson, T. Andersson, Marie Skepö
(2012) Journal of Food Engineering, 111 p.318-325
Journal article

Model simulations of the adsorption of statherin to solid surfaces : Effects of surface charge and hydrophobicity

M. Skepö
(2008) Journal of Chemical Physics, 129
Journal article

Adsorption of the flexible salivary proteins statherin and PRP-1 to negatively charged surfaces - A Monte Carlo simulation and ellipsometric study

Marie Skepö, Liselott Lindh, Thomas Arnebrant
(2007) Zeitschrift fur Physikalische Chemie, 221 p.21-46
Journal article

Monte Carlo simulations of the hydrophobic effect in aqueous electrolyte solutions

Malin Jönsson, Marie Skepö, Per Linse
(2006) The Journal of Physical Chemistry Part B, 110 p.8782-8788
Journal article

Coarse-grained modeling of proline rich protein 1 (PRP-1) in bulk solution and adsorbed to a negatively charged surface

Marie Skepö, Per Linse, T Arnebrant
(2006) The Journal of Physical Chemistry Part B, 110 p.12141-12148
Journal article

Competition between a macroion and a polyelectrolyte in complexation with an oppositely charged polyelectrolyte

Marie Skepö
(2004) Journal of Physical Chemistry B, 108 p.5431-5437
Journal article

Complexation, phase separation, and redissolution in polyelectrolyte-macroion solutions

Marie Skepö, Per Linse
(2003) Macromolecules, 36 p.508-519
Journal article

Structure of polyelectrolytes in 3 : 1 salt solutions

J M G Sarraguca, Marie Skepö, A A C C Pais, Per Linse
(2003) Journal of Chemical Physics, 119 p.12621-12628
Journal article

Effect of spatially distributed hydrophobic surface residues on protein-polymer association

Malin Jönsson, Marie Skepö, Folke Tjerneld, Per Linse
(2003) The Journal of Physical Chemistry Part B, 107 p.5511-5518
Journal article

Structure and Phase Stability of Polyelectrolyte-Macroion Solutions

Marie Skepö
(2002)
Dissertation

Dissolution of a polyelectrolyte-macroion complex by addition of salt

Marie Skepö, Per Linse
(2002) Physical Review E, 66
Journal article

Polyelectrolyte–macroion complexation. II. Effect of chain flexibility

Marie Jonsson, Per Linse
(2001) Journal of Chemical Physics, 115 p.10975-10985
Journal article

Polyelectrolyte–macroion complexation. I. Effect of linear charge density, chain length, and macroion charge

Marie Jonsson, Per Linse
(2001) Journal of Chemical Physics, 115 p.3406-3418
Journal article