Recent advances on the interval distance geometry problem - Inria - Institut national de recherche en sciences et technologies du numérique Access content directly
Journal Articles Journal of Global Optimization Year : 2017

Recent advances on the interval distance geometry problem


We discuss a discretization-based solution approach for a classic problem in global 1 optimization, namely the distance geometry problem (DGP). We focus our attention on a par-1 2 ticular class of the DGP which is concerned with the identification of the conformation of 3 biological molecules. Among the many relevant ideas for the discretization of the DGP in 4 the literature, we identify the most promising ones and address their inherent limitations 5 to application to this class of problems. The result is an improved method for estimating 2 6 3D structures of small proteins based only on the knowledge of some distance restraints 7 between pairs of atoms. We present computational results showcasing the usefulness of the 8 new proposed approach. Proteins act on living cells according to their geometric and chem-9 ical properties: finding protein conformations can be very useful within the pharmaceutical 10 industry in order to synthesize new drugs.
Fichier principal
Vignette du fichier
jogo16.pdf (1.08 Mo) Télécharger le fichier
Origin Files produced by the author(s)

Dates and versions

hal-02105295 , version 1 (20-04-2019)



Douglas Gonçalves, Antonio Mucherino, Carlile Lavor, Leo Liberti. Recent advances on the interval distance geometry problem. Journal of Global Optimization, 2017, 69 (3), pp.525-545. ⟨10.1007/s10898-016-0493-6⟩. ⟨hal-02105295⟩
611 View
191 Download



Gmail Mastodon Facebook X LinkedIn More