Dielectric properties of trypsin inhibitor and lysozyme calculated from molecular dynamics simulations

Trypsin Inhibitor ◽

Molecular Dynamics Simulations in Heterogeneous Dielectrica and Debye-Hückel Media - Application to the Protein Bovine Pancreatic Trypsin Inhibitor

Molecular Simulation ◽

10.1080/08927029208022491 ◽

1992 ◽

Vol 8 (6) ◽

pp. 361-387 ◽

Cited By ~ 36

Author(s):

C. Niedermeier ◽

K. Schulten

Keyword(s):

Molecular Dynamics ◽

Trypsin Inhibitor ◽

Bovine Pancreatic Trypsin Inhibitor ◽

Pancreatic Trypsin Inhibitor ◽

Dielectric Properties of Ethylene Carbonate and Propylene Carbonate Using Molecular Dynamics Simulations

ECS Meeting Abstracts ◽

10.1149/ma2015-02/2/181 ◽

2015 ◽

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Propylene Carbonate ◽

Ethylene Carbonate ◽

Internal Mobility of the Basic Pancreatic Trypsin Inhibitor in Solution: A Comparison of NMR Spin Relaxation Measurements and Molecular Dynamics Simulations

Journal of Molecular Biology ◽

10.1006/jmbi.1994.0090 ◽

1995 ◽

Vol 246 (2) ◽

pp. 356-365 ◽

Cited By ~ 43

Author(s):

Paul E. Smith ◽

René C. van Schaik ◽

Thomas Szyperski ◽

Kurt Wüthrich ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Spin Relaxation ◽

Trypsin Inhibitor ◽

Relaxation Measurements ◽

Basic Pancreatic Trypsin Inhibitor ◽

Pancreatic Trypsin Inhibitor ◽

Internal Mobility ◽

Nmr Spin Relaxation ◽

Dielectric properties of BaTiO3by molecular dynamics simulations using a shell model

Molecular Simulation ◽

10.1080/08927022.2014.938067 ◽

2014 ◽

Vol 41 (13) ◽

pp. 1074-1080 ◽

Cited By ~ 4

Author(s):

T. Hashimoto ◽

H. Moriwake

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Shell Model ◽

Dielectric Properties of Ethylene Carbonate and Propylene Carbonate Using Molecular Dynamics Simulations

ECS Transactions ◽

10.1149/06901.0107ecst ◽

2015 ◽

Vol 69 (1) ◽

pp. 107-111 ◽

Cited By ~ 3

Author(s):

X. You ◽

M. Chaudhari ◽

S. Rempe ◽

L. R. Pratt

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Propylene Carbonate ◽

Ethylene Carbonate ◽

Dielectric properties of binary hydrofluoroolefin refrigerant mixtures: Comparisons of new experimental data with molecular dynamics simulations

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2019.105985 ◽

2020 ◽

Vol 142 ◽

pp. 105985

Author(s):

Gabriele Raabe ◽

Matthew G. Hopkins ◽

Catherine C. Sampson ◽

Paul L. Stanwix ◽

Eric F. May

Keyword(s):

Experimental Data ◽

Molecular Dynamics ◽

Dielectric Properties ◽

Refrigerant Mixtures ◽

Molecular dynamics simulations of the dielectric properties of fructose aqueous solutions

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/28/41/414018 ◽

2016 ◽

Vol 28 (41) ◽

pp. 414018 ◽

Cited By ~ 1

Author(s):

Milton T Sonoda ◽

M Dolores Elola ◽

Munir S Skaf

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Aqueous Solutions ◽

Molecular dynamics simulations reveal structural instability of human trypsin inhibitor upon D50E and Y54H mutations

Journal of Molecular Modeling ◽

10.1007/s00894-012-1565-2 ◽

2012 ◽

Vol 19 (2) ◽

pp. 521-528 ◽

Cited By ~ 6

Author(s):

Wanwimon Mokmak ◽

Surasak Chunsrivirot ◽

Anunchai Assawamakin ◽

Kiattawee Choowongkomon ◽

Sissades Tongsima

Keyword(s):

Molecular Dynamics ◽

Trypsin Inhibitor ◽

Structural Instability ◽

Microscopic Dielectric Properties of Cytochrome c from Molecular Dynamics Simulations in Aqueous Solution

Journal of the American Chemical Society ◽

10.1021/ja00135a018 ◽

1995 ◽

Vol 117 (30) ◽

pp. 7987-8000 ◽

Cited By ~ 71

Author(s):

Thomas Simonson ◽

David Perahia

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Dielectric Properties ◽

Cytochrome C ◽

Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations: Influence on the simulated energetic, structural, and dielectric properties of liquid water

The Journal of Chemical Physics ◽

10.1063/1.476022 ◽

1998 ◽

Vol 108 (15) ◽

pp. 6117-6134 ◽

Cited By ~ 89

Author(s):

Philippe H. Hünenberger ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Liquid Water ◽

Reaction Field ◽