Marie Skepö
- Computational Chemistry
- eSSENCE: The e-Science Collaboration
- LINXS - Institute of advanced Neutron and X-ray Science
- NanoLund: Centre for Nanoscience
- LTH Profile Area: Nanoscience and Semiconductor Technology
- LU Profile Area: Light and Materials
- Department of Chemistry
- LUNARC, Centre for Scientific and Technical Computing at Lund University
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- 2024
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Mark
Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation
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- Contribution to journal › Article
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Mark
Exploring the Functional Landscape of the p53 Regulatory Domain : The Stabilizing Role of Post-Translational Modifications
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- Contribution to journal › Article
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Mark
Deeper Insight of the Conformational Ensemble of Intrinsically Disordered Proteins
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- Contribution to journal › Article
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Mark
Translocation of Antimicrobial Peptides across Model Membranes : The Role of Peptide Chain Length
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- Contribution to journal › Article
- 2023
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Mark
From dilute to concentrated solutions of intrinsically disordered proteins : Interpretation and analysis of collected data
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- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Interaction of a Histidine-Rich Antimicrobial Saliva Peptide with Model Cell Membranes : The Role of Histidines
(
- Contribution to journal › Article
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Mark
Comparative Performance of Computer Simulation Models of Intrinsically Disordered Proteins at Different Levels of Coarse-Graining
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- Contribution to journal › Article
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Mark
Anion-Specific Adsorption of Carboxymethyl Cellulose on Cellulose
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- Contribution to journal › Article
- 2022
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Mark
Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments
(
- Contribution to journal › Article
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Mark
From dilute to concentrated solutions of intrinsically disordered proteins: Sample preparation and data collection
(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
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
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- Contribution to journal › Article
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Mark
Clustering and cross-linking of the wheat storage protein α-gliadin : A combined experimental and theoretical approach
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- Contribution to journal › Article
- 2021
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Mark
Building polymer-like clusters from colloidal particles with isotropic interactions, in aqueous solution
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- Contribution to journal › Article
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Mark
Impact of arginine−phosphate interactions on the reentrant condensation of disordered proteins
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- Contribution to journal › Article
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Mark
The effect of multisite phosphorylation on the conformational properties of intrinsically disordered proteins
(
- Contribution to journal › Article
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Mark
From Attraction to Repulsion to Attraction: Non-Monotonic Temperature Dependence of Polymer-Mediated Interactions in Colloidal Dispersions
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- Contribution to journal › Article
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Mark
Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity
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- Contribution to journal › Article
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Mark
PED in 2021 : A major update of the protein ensemble database for intrinsically disordered proteins
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- Contribution to journal › Article
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Mark
Molecular dynamics simulations of phosphorylated intrinsically disordered proteins : A force field comparison
(
- Contribution to journal › Article
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Mark
The Effects of Chain Length on the Structural Properties of Intrinsically Disordered Proteins in Concentrated Solutions
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- Contribution to journal › Article
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Mark
Self-Diffusive Properties of the Intrinsically Disordered Protein Histatin 5 and the Impact of Crowding Thereon : A Combined Neutron Spectroscopy and Molecular Dynamics Simulation Study
2021) In Journal of Physical Chemistry B(
- Contribution to journal › Article
- 2020
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Mark
Spontaneous Formation of Cushioned Model Membranes Promoted by an Intrinsically Disordered Protein
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- Contribution to journal › Article
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Mark
Physicochemical characterisation of KEIF€-the intrinsically disordered N-terminal region of magnesium transporter A
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- Contribution to journal › Article
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Mark
Adsorption of Fibrinogen on Silica Surfaces-The Effect of Attached Nanoparticles
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- Contribution to journal › Article
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Mark
Nanoplatelet interactions in the presence of multivalent ions : The effect of overcharging and stability
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- Contribution to journal › Article
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Mark
Determining Rg of IDPs from SAXS Data
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- Contribution to journal › Article
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Mark
Glutenin and gliadin, a piece in the puzzle of their structural properties in the cell described through monte carlo simulations
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- Contribution to journal › Article
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Mark
Phosphorylation of a Disordered Peptide - Structural Effects and Force Field Inconsistencies
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- Contribution to journal › Article
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Mark
Integrating All-Atom and Coarse-Grained Simulations - Toward Understanding of IDPs at Surfaces
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- Contribution to journal › Article
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Mark
The extracellular juncture domains in the intimin passenger adopt a constitutively extended conformation inducing restraints to its sphere of action
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- Contribution to journal › Article
- 2019
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Mark
Assessing the Intricate Balance of Intermolecular Interactions upon Self-Association of Intrinsically Disordered Proteins
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- Contribution to journal › Article
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Mark
Intercalation of cationic peptides within Laponite layered clay minerals in aqueous suspensions : The effect of stoichiometry and charge distance matching
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- Contribution to journal › Article
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Mark
Temperature Dependence of Intrinsically Disordered Proteins in Simulations : What are We Missing?
(
- Contribution to journal › Article
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Mark
Dynamical Oligomerisation of Histidine Rich Intrinsically Disordered ProteinS Is Regulated through Zinc-Histidine Interactions
(
- Contribution to journal › Article
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Mark
Evaluating Models of Varying Complexity of Crowded Intrinsically Disordered Protein Solutions against SAXS
(
- Contribution to journal › Article
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Mark
Polyelectrolyte-nanoplatelet complexation : Is it possible to predict the state diagram?
(
- Contribution to journal › Article
- 2018
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Mark
On the Calculation of SAXS Profiles of Folded and Intrinsically Disordered Proteins from Computer Simulations
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- Contribution to journal › Article
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Mark
Utilizing Coarse-Grained Modeling and Monte Carlo Simulations to Evaluate the Conformational Ensemble of Intrinsically Disordered Proteins and Regions
(
- Contribution to journal › Article
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Mark
An overview of the transport of liquid molecules through structured polymer films, barriers and composites – Experiments correlated to structure-based simulations
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- Contribution to journal › Article
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Mark
The effect of the relative permittivity on the tactoid formation in nanoplatelet systems. A combined computer simulation, SAXS, and osmotic pressure study
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- Contribution to journal › Article
- 2017
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Mark
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
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- Contribution to journal › Article
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Mark
Structural Characterization of Bubbles Formed in DNA Melting : A Monte Carlo Simulation Study
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- Contribution to journal › Article
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Mark
Bovine β-casein has a polydisperse distribution of equilibrium micelles
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- Contribution to journal › Article
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Mark
Flocculated Laponite-PEG/PEO Dispersions with Multivalent Salt : A SAXS, Cryo-TEM, and Computer Simulation Study
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- Contribution to journal › Article
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Mark
Self-association of a highly charged arginine-rich cell-penetrating peptide
2017) In Proceedings of the National Academy of Sciences of the United States of America 114(43). p.11428-11433(
- Contribution to journal › Article
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Mark
Temperature Response of Charged Colloidal Particles by Mixing Counterions Utilizing Ca2+/Na+ Montmorillonite as Model System
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- Contribution to journal › Article
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Mark
Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
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- Contribution to journal › Article
- 2016
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Mark
A simple and versatile implicit solvent model for polyethylene glycol in aqueous solution at room temperature
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- Contribution to journal › Article
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Mark
Flocculated Laponite-PEG/PEO dispersions with monovalent salt, a SAXS and simulation study.
(
- Contribution to journal › Article
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Mark
Coarse-grained modelling of the intrinsically disordered protein Histatin 5 in solution. Monte Carlo simulations in combination with SAXS.
2016) In Proteins(
- Contribution to journal › Article
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Mark
Adsorption of the intrinsically disordered saliva protein histatin 5 to silica surfaces. A Monte Carlo simulation and ellipsometry study.
(
- Contribution to journal › Article
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Mark
Aggregation behavior of aqueous cellulose nanocrystals : the effect of inorganic salts
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- Contribution to journal › Article
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Mark
Molecular Dynamics Simulations of Intrinsically Disordered Proteins: On the Accuracy of the TIP4P‐D Water Model and the Representativeness of Protein Disorder Models
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- Contribution to journal › Article
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Mark
In silico physicochemical characterization and comparison of two intrinsically disordered phosphoproteins : β-casein and acidic PRP-1
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- Contribution to journal › Article
- 2015
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Mark
Equation of state of PEG/PEO in good solvent. Comparison between a one-parameter EOS and experiments
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- Contribution to journal › Article
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Mark
A coarse-grained model for flexible (phospho)proteins: Adsorption and bulk properties
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- Contribution to journal › Article
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Mark
Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment
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- Contribution to journal › Article
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Mark
Confined polyelectrolytes: The complexity of a simple system.
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- Contribution to journal › Article
- 2014
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Mark
Effect of patchwise slip on fluid flow
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- Contribution to journal › Article
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Mark
Role of histidine for charge regulation of unstructured peptides at interfaces and in bulk.
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- Contribution to journal › Article
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Mark
Underlying mechanisms behind adhesion of fermented milk to packaging surfaces
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- Contribution to journal › Article
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Mark
Adsorption of beta-casein to hydrophilic silica surfaces. Effect of pH and electrolyte
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- Contribution to journal › Article
- 2012
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Mark
Adsorption of Unstructured Protein beta-Casein to Hydrophobic and Charged Surfaces
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- Contribution to journal › Article
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Mark
coating on adherence of Streptococcus oralis strains to titanium
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- Contribution to journal › Article
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Mark
Adhesion of fermented diary products to packaging materials. Effect of material functionality, storage time, and fat content of the product. An empirical study
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- Contribution to journal › Article
- 2008
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Mark
Model simulations of the adsorption of statherin to solid surfaces : Effects of surface charge and hydrophobicity
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- Contribution to journal › Article
- 2007
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Mark
Adsorption of the flexible salivary proteins statherin and PRP-1 to negatively charged surfaces - A Monte Carlo simulation and ellipsometric study
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- Contribution to journal › Article
- 2006
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Mark
Coarse-grained modeling of proline rich protein 1 (PRP-1) in bulk solution and adsorbed to a negatively charged surface
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- Contribution to journal › Article
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Mark
Monte Carlo simulations of the hydrophobic effect in aqueous electrolyte solutions
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- Contribution to journal › Article
- 2004
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Mark
Competition between a macroion and a polyelectrolyte in complexation with an oppositely charged polyelectrolyte
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- Contribution to journal › Article
- 2003
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Mark
Complexation, phase separation, and redissolution in polyelectrolyte-macroion solutions
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- Contribution to journal › Article
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Mark
Effect of spatially distributed hydrophobic surface residues on protein-polymer association
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- Contribution to journal › Article
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Mark
Structure of polyelectrolytes in 3 : 1 salt solutions
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- Contribution to journal › Article
- 2002
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Mark
Dissolution of a polyelectrolyte-macroion complex by addition of salt
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- Contribution to journal › Article
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Mark
Structure and Phase Stability of Polyelectrolyte-Macroion Solutions
2002)(
- Thesis › Doctoral thesis (compilation)
- 2001
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Mark
Polyelectrolyte–macroion complexation. I. Effect of linear charge density, chain length, and macroion charge
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- Contribution to journal › Article
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Mark
Polyelectrolyte–macroion complexation. II. Effect of chain flexibility
(
- Contribution to journal › Article