Determining Protein Backbone from H and H-alpha Short Interatomic Distances

Nucci P., Nogueira L. T., Lavor C.

6th WSEAS International Conference on CELLULAR and MOLECULAR BIOLOGY, BIOPHYSICS and BIOENGINEERING/8th WSEAS International Conference on ENVIRONMENT, ECOSYSTEMS and DEVELOPMENT/International Conference on Bioscience and Bioinformatics, Athens, Greece, 29 - 31 December 2010, pp.43-44 identifier

  • Publication Type: Conference Paper / Full Text
  • City: Athens
  • Country: Greece
  • Page Numbers: pp.43-44
  • Istanbul Technical University Affiliated: No


In this work, we deal with a method based on the Discretizable Molecular Distance Geometry Problem (DMDGP), that consists in determining coordinates of a molecule satisfying some inter-atomic distances. Aiming practical applicability in Nuclear Magnetic Resonance protein spectroscopy, we present a sequence of atoms not chemically bonded, that can be solved by using only distances between hydrogen atoms. Once determined the structures for this chain, one determines the backbone of the protein. Differently from the existent one in the literature, our method has no use of H-beta atoms (which have less precise measures), has smaller cost for exploring the search space and an easier process of determining the backbone.