An exact algorithm for the reconstruction of the contact map (CM) of a protein structure from the sole knowledge of its principal eigenvector (PE) was presented. The algorithm yielded a unique contact map for all 221 globular proteins of PDBselect25 of length N ≤120. It was shown that the reconstructures map allow for the accurate reconstruction of the three-dimensional structure. The results showed that the reduced vectorial representation provided by the principal eigenvector of the contact map was equivalent to the protein structure itself.
Porto, M., Bastolla, U., Roman, H., Vendruscolo, M. (2004). Reconstruction of protein structures from a vectorial representation. PHYSICAL REVIEW LETTERS, 92(21) [10.1103/PhysRevLett.92.218101].
Reconstruction of protein structures from a vectorial representation
Roman H. E.;
2004
Abstract
An exact algorithm for the reconstruction of the contact map (CM) of a protein structure from the sole knowledge of its principal eigenvector (PE) was presented. The algorithm yielded a unique contact map for all 221 globular proteins of PDBselect25 of length N ≤120. It was shown that the reconstructures map allow for the accurate reconstruction of the three-dimensional structure. The results showed that the reduced vectorial representation provided by the principal eigenvector of the contact map was equivalent to the protein structure itself.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
