Molecular dynamics simulations of metalloproteins: A folding study of rubredoxin from <em>Pyrococcus furiosus</em>

Molecular dynamics simulations of metalloproteins: A folding study of rubredoxin from <em>Pyrococcus furiosus</em>

The constant increase of computational power has made feasible to investigate the folding mechanism of small proteins using molecular dynamics (MD). Metal-binding proteins (metalloproteins) are usually complicated to model, largely due to the presence of the metal cofactor. Thus, the study of metal-...

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Bibliographic Details
Main Authors: Davide Sala, Andrea Giachetti, Antonio Rosato
Format: Article
Language:English
Published: AIMS Press 2018-03-01
Series:AIMS Biophysics
Subjects:
folding
rubredoxin
molecular dynamics
metal
iron
metalloproteins
simulation
forcefield
modelling
Online Access:http://www.aimspress.com/biophysics/article/1902/fulltext.html

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http://www.aimspress.com/biophysics/article/1902/fulltext.html

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