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

1992 ◽  
Vol 8 (6) ◽  
pp. 361-387 ◽  
Author(s):  
C. Niedermeier ◽  
K. Schulten
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Trypsin Inhibitor ◽  
Bovine Pancreatic Trypsin Inhibitor ◽  
Pancreatic Trypsin Inhibitor ◽  
Dynamics Simulations

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

1993 ◽  
Vol 97 (9) ◽  
pp. 2009-2014 ◽  
Author(s):  
Paul E. Smith ◽  
Roger M. Brunne ◽  
Alan E. Mark ◽  
Wilfred F. Van Gunsteren
Keyword(s):  
Molecular Dynamics ◽  
Dielectric Properties ◽  
Molecular Dynamics Simulations ◽  
Trypsin Inhibitor ◽  
Dynamics Simulations

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

2012 ◽  
Vol 19 (2) ◽  
pp. 521-528 ◽  
Author(s):  
Wanwimon Mokmak ◽  
Surasak Chunsrivirot ◽  
Anunchai Assawamakin ◽  
Kiattawee Choowongkomon ◽  
Sissades Tongsima
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Trypsin Inhibitor ◽  
Structural Instability ◽  
Dynamics Simulations
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