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  4. The interplay between protein dynamics and frustration of non-bonded interactions as revealed by molecular dynamics simulations
 
research article

The interplay between protein dynamics and frustration of non-bonded interactions as revealed by molecular dynamics simulations

Tavernelli, I.  
•
Di Iorio, E. E.
2001
Chemical Physics Letters

The mechanism that allows proteins with the same fold to be different in their dynamic and stability properties is poorly understood. We report here the results of mol. dynamics (MD) simulations on rubredoxin (Rd) from hyperthermophilic and mesophilic bacteria that give new insights on this problem. In flexible proteins, the amino acid side chains can form multiple interchangeable non-bonded interaction networks, corresponding to iso-energetic min. in the energy landscape. Under these competing conditions, the system is said to be frustrated. A very stable fold instead, is poorly frustrated because it contains a well-defined and settled network of stabilizing non-bonded interactions. [on SciFinder (R)]

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Type
research article
DOI
10.1016/S0009-2614(01)00859-4
Author(s)
Tavernelli, I.  
Di Iorio, E. E.
Date Issued

2001

Publisher

Elsevier

Published in
Chemical Physics Letters
Volume

345

Issue

3,4

Start page

287

End page

294

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCBC  
Available on Infoscience
February 27, 2006
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/226165
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