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List of works by Othmar Steinhauser

A computational component analysis of dielectric relaxation and THz spectra of water/AOT reverse micelles with different water loading

scientific article published in December 2016

A molecular dynamics study of the dielectric properties of aqueous solutions of alanine and alanine dipeptide

scientific article

Additive polarizabilities in ionic liquids

scientific article published on 17 December 2015

Calculation of the dielectric properties of a protein and its solvent: theory and a case study ⬇️

scientific article published on July 18, 1997

Charged, dipolar soft matter systems from a combined microscopic–mesoscopic viewpoint

scientific article published on 04 July 2016

Collective rotational dynamics in ionic liquids: A computational and experimental study of 1-butyl-3-methyl-imidazolium tetrafluoroborate

article

Combining non-equilibrium simulations and coarse-grained modelling allows for a fine-grained decomposition of solvation dynamics

scientific article published on 2 November 2016

Comments on “Anomalous Dielectric Relaxation of Aqueous Protein Solutions” by Nilashis Nandi and Biman Bagchi (J. Phys. Chem. A1998,102, 8217)

Comparing induced point-dipoles and Drude oscillators

scientific article published in June 2015

Computational spectroscopy of trehalose, sucrose, maltose, and glucose: A comprehensive study of TDSS, NQR, NOE, and DRS

scientific article published on 01 May 2019

Computational studies of ionic liquids: size does matter and time too.

scientific article published in September 2012

Cutoff size does strongly influence molecular dynamics results on solvated polypeptides

scientific article published in June 1992

Dielectric spectra of ionic liquids and their conversion to solvation dynamics: a detailed computational analysis of polarizable systems

article

Dielectric spectroscopy and time dependent Stokes shift: two faces of the same coin?

scientific article published on 14 August 2020

From Short-Range to Long-Range Intermolecular NOEs in Ionic Liquids: Frequency Does Matter

scientific article published on 17 June 2013

Global and local Voronoi analysis of solvation shells of proteins

scientific article

Hydrated Ionic Liquids with and without Solute: The Influence of Water Content and Protein Solutes

scientific article published on 20 June 2012

Hydration dynamics of proteins in reverse micelles probed by 1H-NOESY/1H-ROESY NMR and 17O-nuclear quadrupole resonance (NQR)

scientific article published on 01 July 2019

Impact of anisotropy on the structure and dynamics of ionic liquids: A computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate

article

Langevin behavior of the dielectric decrement in ionic liquid water mixtures

scientific article published on 01 June 2018

NMR cross-relaxation investigated by molecular dynamics simulation: a case study of ubiquitin in solution

scientific article published in June 1995

On the collective network of ionic liquid/water mixtures. I. Orientational structure.

scientific article published in December 2007

On the collective network of ionic liquid/water mixtures. II. Decomposition and interpretation of dielectric spectra

scientific article published on 01 November 2008

On the collective network of ionic liquid/water mixtures. III. Structural analysis of ionic liquids on the basis of Voronoi decomposition.

scientific article published in May 2009

On the collective network of ionic liquid/water mixtures. IV. Kinetic and rotational depolarization

scientific article published on 01 May 2014

On the computation and contribution of conductivity in molecular ionic liquids

scientific article published in April 2008

On the dielectric conductivity of molecular ionic liquids

scientific article published in September 2009

On the influence of hydrated ionic liquids on the dynamical structure of model proteins: a computational study

scientific article

Orientational alignment of amyloidogenic proteins in pre-aggregated solutions

scientific article published in Physical Review Letters

Pair dynamics and the intermolecular nuclear Overhauser effect (NOE) in liquids analysed by simulation and model theories: application to an ionic liquid

scientific article

Polarization effects on the solvation dynamics of coumarin C153 in ionic liquids: Components and their cross-correlations

article

Relaxation of Voronoi shells in hydrated molecular ionic liquids

scientific article published in November 2009

Revival of the Intermolecular Nuclear Overhauser Effect for Mapping Local Protein Hydration Dynamics

scientific article published on 7 July 2017

Rotational dynamics of water molecules near biological surfaces with implications for nuclear quadrupole relaxation

scientific article

Simulating polarizable molecular ionic liquids with Drude oscillators ⬇️

scientific article published on October 21, 2010

Simulation studies of ionic liquids: orientational correlations and static dielectric properties

scientific article published in December 2006

Simulation studies of the protein-water interface. I. Properties at the molecular resolution

Simulation studies of the protein-water interface. II. Properties at the mesoscopic resolution

Solvation studies of a zinc finger protein in hydrated ionic liquids

scientific article published on 09 March 2011

Taming cut-off induced artifacts in molecular dynamics studies of solvated polypeptides. The reaction field method

scientific article published in December 1992

The dielectric self-consistent field method. I. Highways, byways, and illustrative results

The dielectric self-consistent field method. II. Application to the study of finite range effects

The effect of Thole functions on the simulation of ionic liquids with point induced dipoles at various densities

article

The influence of electrostatic forces on the structure and dynamics of molecular ionic liquids

scientific article

The influence of polarizability on the dielectric spectrum of the ionic liquid 1-ethyl-3-methylimidazolium triflate

scientific article published on 3 June 2011

The influence of temperature on pairwise hydrophobic interactions of methane‐like particles: A molecular dynamics study of free energy

article

The intermolecular NOE is strongly influenced by dynamics

scientific article published on 18 February 2015

The nuclear Overhauser Effect (NOE) as a tool to study macromolecular confinement: Elucidation and disentangling of crowding and encapsulation effects

scientific article published on 01 January 2020

Towards a better description and understanding of biomolecular solvation

scientific article published in April 1999

Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models

scientific article published in February 2014

Understanding the Nature of Nuclear Magnetic Resonance Relaxation by Means of Fast-Field-Cycling Relaxometry and Molecular Dynamics Simulations-The Validity of Relaxation Models

scientific article published on 04 March 2020

Using fit functions in computational dielectric spectroscopy

scientific article published in June 2010

X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations

scientific article

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