Othmar Steinhauser: search on Z-Library

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1

Macromolecular crowding and the importance of proper hydration for the structure and dynamics of protein solutions

Honegger, Philipp, Schmollngruber, Michael, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.71 MB

english, 2018

2

The influence of a protein on water dynamics in its vicinity investigated by molecular dynamics simulation

Abseher, Roger, Schreiber, Hellfried, Steinhauser, Othmar

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1996

Language:

english

File:

PDF, 1.15 MB

english, 1996

3

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

Schröder, Christian, Steinhauser, Othmar

Journal:

Journal of Physics Condensed Matter

Year:

2016

Language:

english

File:

PDF, 861 KB

english, 2016

4

Single particle dynamics of liquid carbon disulfide

Othmar Steinhauser

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 406 KB

english, 1981

5

On the structure and dynamics of liquid benzene

Othmar Steinhauser

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 962 KB

english, 1982

6

Towards a better description and understanding of biomolecular solvation

Stefan Boresch, Sabine Ringhofer, Peter Höchtl, Othmar Steinhauser

Journal:

Biophysical Chemistry

Year:

1999

Language:

english

File:

PDF, 370 KB

english, 1999

7

Multipole expansion of diatomic overlap

Othmar Steinhauser, Peter Schuster

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 529 KB

english, 1977

8

Multipole expansion of diatomic overlap

Othmar Steinhauser, Peter Schuster

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 334 KB

english, 1977

9

Presumed versus real artifacts of the Ewald summation technique: The importance of dielectric boundary conditions

Stefan Boresch, Othmar Steinhauser

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1997

Language:

english

File:

PDF, 1.04 MB

english, 1997

10

Computational studies of ionic liquids: Size does matter and time too

Gabl, Sonja, Schröder, Christian, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

11

NMR Cross-relaxation Investigated by Molecular Dynamics Simulation: A Case Study of Ubiquitin in Solution

Roger Abseher, Susanna Lüdemann, Hellfried Schrieber, Othmar Steinhauser

Journal:

Journal of Molecular Biology

Year:

1995

Language:

english

File:

PDF, 675 KB

english, 1995

12

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

Gerald Löffler, Hellfried Schreiber, Othmar Steinhauser

Journal:

Journal of Molecular Biology

Year:

1997

Language:

english

File:

PDF, 338 KB

english, 1997

13

The Temperature-Dependence of Hydrophobic Association in Water. Pair versus Bulk Hydrophobic Interactions

Lüdemann, Susanna, Abseher, Roger, Schreiber, Hellfried, Steinhauser, Othmar

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 289 KB

english, 1997

14

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

Haberler, Michael, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.77 MB

english, 2011

15

Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations

Neumann, Martin, Steinhauser, Othmar, Pawley, G. Stuart

Journal:

Molecular Physics

Year:

1984

Language:

english

File:

PDF, 935 KB

english, 1984

16

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

Gabl, Sonja, Steinhauser, Othmar, Weingärtner, Hermann

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 591 KB

english, 2013

17

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

Gabl, Sonja, Steinhauser, Othmar, Weingärtner, Hermann

Journal:

Angewandte Chemie

Year:

2013

Language:

english

File:

PDF, 578 KB

english, 2013

18

Using fit functions in computational dielectric spectroscopy

Schröder, Christian, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.30 MB

english, 2010

19

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

Schröder, Christian, Sonnleitner, Thomas, Buchner, Richard, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.56 MB

english, 2011

20

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

Braun, Daniel, Boresch, Stefan, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

21

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

Schmollngruber, Michael, Schröder, Christian, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.00 MB

english, 2013

22

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

Haberler, Michael, Schröder, Christian, Steinhauser, Othmar

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 4.58 MB

english, 2012

23

Influence of Molecular Motion on the Accuracy of NMR-Derived Distances. A Molecular Dynamics Study of Two Solvated Model Peptides

Abseher, Roger, Luedemann, Susanna, Schreiber, Hellfried, Steinhauser, Othmar

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.21 MB

english, 1994

24

Solvation studies of a zinc finger protein in hydrated ionic liquids

Haberler, Michael, Schröder, Christian, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.99 MB

english, 2011

25

A molecular dynamics simulation study of the unfolding of barnase induced by reaction field perturbation

Ringhofer, Sabine, Schreiber, Hellfried, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 634 KB

english, 1999

26

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

Schmollngruber, Michael, Schröder, Christian, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.22 MB

english, 2014

27

Analysis of key parameters for molecular dynamics of pMHC molecules

Omasits, Ulrich, Knapp, Bernhard, Neumann, Martin, Steinhauser, Othmar, Stockinger, Hannes, Kobler, Rene, Schreiner, Wolfgang

Journal:

Molecular Simulation

Year:

2008

Language:

english

File:

PDF, 1.90 MB

english, 2008

28

Rationalizing the effects of modified electrostatic interactions in computer simulations: The dielectric self-consistent field method

Boresch, Stefan, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 289 KB

english, 1999

29

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

Boresch, Stefan, Willensdorfer, Martin, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 421 KB

english, 2004

30

Rationalization of the dielectric properties of common three-site water models in terms of their force field parameters

Höchtl, Peter, Boresch, Stefan, Bitomsky, Wolfgang, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 458 KB

english, 1998

31

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

Schröder, Christian, Sega, Marcello, Schmollngruber, Michael, Gailberger, Elias, Braun, Daniel, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.11 MB

english, 2014

32

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

Gabl, Sonja, Schröder, Christian, Braun, Daniel, Weingärtner, Hermann, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

33

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

Lüdemann, Susanna, Schreiber, Hellfried, Abseher, Roger, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 422 KB

english, 1996

34

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

Boresch, Stefan, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 383 KB

english, 2001

35

The frequency-dependent conductivity of a saturated solution of ZnBr[sub 2] in water: A molecular dynamics simulation

Löffler, Gerald, Schreiber, Hellfried, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 435 KB

english, 1997

36

Making use of Connolly’s molecular surface program in the isodensity adapted polarizable continuum model

Höfinger, Siegfried, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 517 KB

english, 2001

37

Dielectric spectroscopy in aqueous solutions of oligosaccharides: Experiment meets simulation

Weingärtner, Hermann, Knocks, Andrea, Boresch, Stefan, Höchtl, Peter, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 500 KB

english, 2001

38

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

Boresch, Stefan, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 560 KB

english, 2001

39

Comparing induced point-dipoles and Drude oscillators

Schmollngruber, Michael, Lesch, Volker, Schröder, Christian, Heuer, Andreas, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.52 MB

english, 2015

40

On the dielectric conductivity of molecular ionic liquids

Schröder, Christian, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 708 KB

english, 2009

41

Simulating polarizable molecular ionic liquids with Drude oscillators

Schröder, Christian, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 753 KB

english, 2010

42

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

Taylor, Thomas, Schmollngruber, Michael, Schröder, Christian, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.28 MB

english, 2013

43

Global and local Voronoi analysis of solvation shells of proteins

Neumayr, Gregor, Rudas, Tibor, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.89 MB

english, 2010

44

Additive polarizabilities in ionic liquids

Bernardes, Carlos E. S., Shimizu, Karina, Lopes, José Nuno Canongia, Marquetand, Philipp, Heid, Esther, Steinhauser, Othmar, Schröder, Christian

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.94 MB

english, 2016

45

Dielectric depolarisation and concerted collective dynamics in AOT reverse micelles with and without ubiquitin

Schmollngruber, Michael, Braun, Daniel, Oser, Daniel, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.23 MB

english, 2016

46

Cover Picture: From Short-Range to Long-Range Intermolecular NOEs in Ionic Liquids: Frequency Does Matter (Angew. Chem. Int. Ed. 35/2013)

Gabl, Sonja, Steinhauser, Othmar, Weingärtner, Hermann

Journal:

Angewandte Chemie International Edition

Year:

2013

File:

PDF, 639 KB

2013

47

Titelbild: From Short-Range to Long-Range Intermolecular NOEs in Ionic Liquids: Frequency Does Matter (Angew. Chem. 35/2013)

Gabl, Sonja, Steinhauser, Othmar, Weingärtner, Hermann

Journal:

Angewandte Chemie

Year:

2013

File:

PDF, 635 KB

2013

48

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

Braun, Daniel, Schmollngruber, Michael, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.87 MB

english, 2016

49

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

Schmollngruber, Michael, Braun, Daniel, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.35 MB

english, 2016

50

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

Schmollngruber, Michael, Braun, Daniel, Steinhauser, Othmar

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 830 KB

english, 2016