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List of works by Jens Smiatek

A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate

scientific article published on 10 November 2017

A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions

scientific article published on February 2017

AFM-based force spectroscopy on polystyrene brushes: effect of brush thickness on protein adsorption

scientific article

Aqueous Mixtures of Urea and Trimethylamine-N-oxide: Evidence for Kosmotropic or Chaotropic Behavior?

scientific article published on 13 May 2019

Aqueous ionic liquids and their effects on protein structures: an overview on recent theoretical and experimental results.

scientific article published on 11 April 2017

Aqueous ionic liquids and their influence on peptide conformations: denaturation and dehydration mechanisms.

scientific article published on 24 July 2017

Aqueous ionic liquids in comparison with standard co-solutes : Differences and common principles in their interaction with protein and DNA structures

scientific article published on 2 April 2018

Artificial neural networks for the prediction of solvation energies based on experimental and computational data

scientific article published on 21 October 2020

Atomistic insights into deep eutectic electrolytes: the influence of urea on the electrolyte salt LiTFSI in view of electrochemical applications

article

Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems

scientific article published on 13 November 2019

Calculation of free energy landscapes: a histogram reweighted metadynamics approach

scientific article published on 15 April 2011

Chapter 6. Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations

Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium).

scientific article published in December 2015

Coat thickness dependent adsorption of hydrophobic molecules at polymer brushes

scientific article

Combined influence of ectoine and salt: spectroscopic and numerical evidence for compensating effects on aqueous solutions

scientific article

Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study

scientific article published on 28 January 2016

Disentangling structural information from core-level excitation spectra.

scientific article

Electric-field-induced stretching of surface-tethered polyelectrolytes in a microchannel.

scientific article published on 27 September 2017

Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile

Enthalpic contributions to solvent-solute and solvent-ion interactions: Electronic perturbation as key to the understanding of molecular attraction

scientific article published on 01 May 2019

First-principles parameterization of polarizable coarse-grained force fields for ionic liquids.

scientific article published on 22 January 2018

Importance of varying permittivity on the conductivity of polyelectrolyte solutions. ⬇️

scientific article published on 10 September 2015

Influence of compatible solute ectoine on distinct DNA structures: thermodynamic insights into molecular binding mechanisms and destabilization effects

scientific article published on 01 October 2018

Influence of the Compatible Solute Ectoine on the Local Water Structure: Implications for the Binding of the Protein G5P to DNA.

scientific article

Lattice-Boltzmann simulations of the electrophoretic stretching of polyelectrolytes: the importance of hydrodynamic interactions.

scientific article published in April 2014

Local water dynamics around antifreeze protein residues in the presence of osmolytes: the importance of hydroxyl and disaccharide groups

scientific article published on 26 September 2014

Low concentrated hydroxyectoine solutions in presence of DPPC lipid bilayers: a computer simulation study

scientific article published on 13 July 2013

Mesoscopic simulations of the counterion-induced electro-osmotic flow: a comparative study

scientific article published in June 2009

Microphase separation and the formation of ion conductivity channels in poly(ionic liquid)s: A coarse-grained molecular dynamics study

Mixtures of LiTFSI and urea: ideal thermodynamic behavior as key to the formation of deep eutectic solvents?

scientific article published on 29 May 2019

Nudged-elastic band used to find reaction coordinates based on the free energy

scientific article published in February 2014

Osmolyte effects: impact on the aqueous solution around charged and neutral spheres

scientific article published on 08 January 2014

Peptides in the presence of aqueous ionic liquids: tunable co-solutes as denaturants or protectants?

scientific article published on 17 September 2015

Polyelectrolyte electrophoresis in nanochannels: a dissipative particle dynamics simulation

scientific article published on 01 May 2010

Preferential Binding of Urea to Single-Stranded DNA Structures: A Molecular Dynamics Study.

scientific article published in April 2018

Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions.

scientific article published on 8 November 2016

Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions

scientific article published on 23 December 2015

Properties of compatible solutes in aqueous solution

scientific article published on 29 September 2011

Relaxation of surface-tethered polymers under moderate confinement

Separation of chiral particles in micro- or nanofluidic channels

scientific article published on 23 May 2012

Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes.

scientific article

Specific Ion Effects and the Law of Matching Solvent Affinities: A Conceptual Density Functional Theory Approach

scientific article published on 11 March 2020

Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior

scientific article published on 01 August 2018

Stabilizing effect of TMAO on globular PNIPAM states: preferential attraction induces preferential hydration.

scientific article published on 9 November 2016

Stable conformations of a single stranded deprotonated DNA i-motif

scientific article published on 01 November 2011

Stretching of surface-tethered polymers in pressure-driven flow under confinement.

scientific article published in September 2017

The influence of charged-induced variations in the local permittivity on the static and dynamic properties of polyelectrolyte solutions. ⬇️

scientific article published in December 2015

The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood-Buff approaches.

scientific article published on 17 July 2017

The solvation and ion condensation properties for sulfonated polyelectrolytes in different solvents—a computational study

The stretching force on a tethered polymer in pressure-driven flow.

scientific article

Tunable-slip boundaries for coarse-grained simulations of fluid flow

scientific article published on 21 April 2008

Validation of Trimethylamine-N-oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions

scientific article published in November 2017

Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments

scientific article

Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions

scientific article

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