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Dietmar Paschek
Dietmar Paschek
Institute of Chemistry, University of Rostock, Rostock, Germany
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Molecular dynamic simulations of ionic liquids: A reliable description of structure, thermodynamics and dynamics
T Köddermann, D Paschek, R Ludwig
ChemPhysChem 8 (17), 2464-2470, 2007
4482007
Temperature dependence of the hydrophobic hydration and interaction of simple solutes: An examination of five popular water models
D Paschek
The Journal of chemical physics 120 (14), 6674-6690, 2004
3362004
Equilibrium study of protein denaturation by urea
DR Canchi, D Paschek, AE García
Journal of the American Chemical Society 132 (7), 2338-2344, 2010
3062010
How the liquid-liquid transition affects hydrophobic hydration in deeply supercooled water
D Paschek
Physical review letters 94 (21), 217802, 2005
2392005
Microsecond simulations of the folding/unfolding thermodynamics of the Trp‐cage miniprotein
R Day, D Paschek, AE Garcia
Proteins: Structure, Function, and Bioinformatics 78 (8), 1889-1899, 2010
2152010
Computing the stability diagram of the Trp-cage miniprotein
D Paschek, S Hempel, AE García
Proceedings of the National Academy of Sciences 105 (46), 17754-17759, 2008
1872008
On the validity of Stokes–Einstein and Stokes–Einstein–Debye relations in ionic liquids and ionic‐liquid mixtures
T Köddermann, R Ludwig, D Paschek
ChemPhysChem 9 (13), 1851-1858, 2008
1812008
Reversible Temperature and Pressure Denaturation of a Protein Fragment:<? format?> A Replica Exchange Molecular Dynamics Simulation Study
D Paschek, AE García
Physical review letters 93 (23), 238105, 2004
1692004
Simulation of the pressure and temperature folding/unfolding equilibrium of a small RNA hairpin
AE Garcia, D Paschek
Journal of the American Chemical Society 130 (3), 815-817, 2008
1582008
Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: On the structure and possible role of internal water
D Paschek, H Nymeyer, AE García
Journal of Structural Biology 157 (3), 524-533, 2007
1482007
Ionic liquids: Dissecting the enthalpies of vaporization
T Köddermann, D Paschek, R Ludwig
ChemPhysChem 9 (4), 549-555, 2008
1472008
The Influence of Hydrogen‐Bond Defects on the Properties of Ionic Liquids
T Peppel, C Roth, K Fumino, D Paschek, M Köckerling, R Ludwig
Angewandte Chemie-International Edition 50 (29), 6661, 2011
1362011
Simulations of the pressure and temperature unfolding of an α-helical peptide
D Paschek, S Gnanakaran, AE Garcia
Proceedings of the National Academy of Sciences 102 (19), 6765-6770, 2005
1352005
Separation of hydrocarbon mixtures using zeolite membranes: a modelling approach combining molecular simulations with the Maxwell–Stefan theory
R Krishna, D Paschek
Separation and Purification Technology 21 (1-2), 111-136, 2000
1302000
Temperature dependence of the solubility of carbon dioxide in imidazolium-based ionic liquids
D Kerlé, R Ludwig, A Geiger, D Paschek
The Journal of Physical Chemistry B 113 (38), 12727-12735, 2009
1242009
Modeling the occupancy dependence of diffusivities in zeolites
R Krishna, D Paschek, R Baur
Microporous and mesoporous materials 76 (1-3), 233-246, 2004
1182004
Modeling of aqueous poly (oxyethylene) solutions: 1. Atomistic simulations
J Fischer, D Paschek, A Geiger, G Sadowski
The Journal of Physical Chemistry B 112 (8), 2388-2398, 2008
1122008
Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: A detailed structural and energetical analysis based on molecular dynamics …
D Paschek
The Journal of chemical physics 120 (22), 10605-10617, 2004
962004
Pressure and salt effects in simulated water: two sides of the same coin?
J Holzmann, R Ludwig, A Geiger, D Paschek
Angewandte Chemie International Edition 46 (46), 8907-8911, 2007
952007
Specific ion effects on water structure and dynamics beyond the first hydration shell
D Paschek, R Ludwig
Angew. Chem., Int. Ed 50 (2), 352-353, 2011
942011
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Artigos 1–20