Molecular Dynamics for Simulating the Protein Folding Process Using the 3D AB Off-Lattice Model

  • César Manuel Vargas Benítez
  • Heitor Silvério Lopes
Part of the Lecture Notes in Computer Science book series (LNCS, volume 7409)


To the best of our knowledge, this paper presents the first application of Molecular Dynamics to the Protein Folding Problem using the 3D AB model of proteins. Protein folding pathways are also presented and discussed. This work also offered new reference values for five benchmark sequences. Future works will investigate parallel versions of the presented approach and more experiments to create new bechmarks.


Protein Folding 3D AB model Molecular Dynamics 


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Copyright information

© Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  • César Manuel Vargas Benítez
    • 1
  • Heitor Silvério Lopes
    • 1
  1. 1.Bioinformatics LaboratoryFederal University of Technology - ParanáCuritibaBrazil

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