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Lista de obras de Othmar Steinhauser

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

artículo científico publicado en 2016

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

artículo científico publicado en 2004

Additive polarizabilities in ionic liquids

artículo científico publicado en 2015

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

artículo científico publicado el 18 de julio de 1997

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 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.

artículo científico publicado en 2012

Cutoff size does strongly influence molecular dynamics results on solvated polypeptides

artículo científico publicado en 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?

artículo científico publicado en 2020

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

artículo científico publicado en 2013

Global and local Voronoi analysis of solvation shells of proteins

artículo científico publicado en 2010

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

artículo científico publicado en 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

artículo científico publicado en 2018

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

artículo científico publicado en 1995

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

artículo científico publicado en 2007

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

artículo científico publicado en 2008

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

artículo científico publicado en 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

artículo científico publicado en 2008

On the dielectric conductivity of molecular ionic liquids

artículo científico publicado en 2009

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

artículo científico publicado en 2011

Orientational alignment of amyloidogenic proteins in pre-aggregated solutions

artículo científico publicado en 2015

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

artículo científico publicado en 2014

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

artículo científico publicado en 2009

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

Simulating polarizable molecular ionic liquids with Drude oscillators ⬇️

artículo científico publicado el 21 de octubre de 2010

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

artículo científico publicado en 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

artículo científico publicado en 2011

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

artículo científico publicado en 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

artículo científico publicado en 2008

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 1999

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

artículo científico publicado en 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

artículo científico publicado en 2020

Using fit functions in computational dielectric spectroscopy

artículo científico publicado en 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

artículo científico publicado en 1999

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