Molecular Dynamics Simulations of Human Serum Albumin and Role of Disulfide Bonds

2013 ◽  
Vol 117 (40) ◽  
pp. 11895-11905 ◽  
Author(s):  
Maria Monica Castellanos ◽  
Coray M. Colina
Keyword(s):  
Molecular Dynamics ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Dynamics Simulations ◽  
Disulfide Bonds ◽  
Dynamics Simulations

Interactions between the antiviral drug telaprevir and human serum albumin: a combined study with spectroscopic methods and molecular modeling

2018 ◽  
Vol 42 (12) ◽  
pp. 9791-9800 ◽  
Author(s):  
Xinnuo Xiong ◽  
Ruixue Gan ◽  
Zili Suo ◽  
Peixiao Tang ◽  
Shuangshuang Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Dynamics Simulations ◽  
Antiviral Drug ◽  
Spectroscopic Methods ◽  
Binding Mechanism ◽  
Dynamics Simulations

The binding mechanism between telaprevir and human serum albumin was explored by combining spectroscopic methods and molecular dynamics simulations.

The role of disulfide bonds and N-terminus in the structural properties of hepcidins: Insights from molecular dynamics simulations

Biopolymers ◽  
2010 ◽  
Vol 93 (10) ◽  
pp. 917-926 ◽  
Author(s):  
Massimiliano Aschi ◽  
Argante Bozzi ◽  
Renato Di Bartolomeo ◽  
Raffaele Petruzzelli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Disulfide Bonds ◽  
N Terminus ◽  
Dynamics Simulations
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