title: A discrete search algorithm for finding the structure of protein backbones and side chains.
abstract: Some information about protein structure can be obtained by using Nuclear Magnetic Resonance (NMR) techniques, but they provide only a sparse set of distances between atoms in a protein. The Molecular Distance Geometry Problem (MDGP) consists in determining the three-dimensional structure of a molecule using a set of known distances between some atoms. Recently, a Branch and Prune (BP) algorithm was proposed to calculate the backbone of a protein, based on a discrete formulation for the MDGP. We present an extension of the BP algorithm that can calculate not only the protein backbone, but the whole three-dimensional structure of proteins.
authors: Departamento de Ciência da Computação, Faculdades Thathi, Araçatuba - SP, Brazil. silassallaume@yahoo.com.br
authors: Silas
authors: S
authors: Sallaume
authors: Simone de Lima
authors: Sde L
authors: Martins
authors: Luiz Satoru
authors: LS
authors: Ochi
authors: Warley Gramacho
authors: WG
authors: Da Silva
authors: Carlile
authors: C
authors: Lavor
authors: Leo
authors: L
authors: Liberti
mesh_terms: D000465:Algorithms; D008958:Models, Molecular; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins