title: A constraint logic programming approach to associate 1D and 3D structural components for large protein complexes.
abstract: The paper describes a novel framework, constructed using Constraint Logic Programming (CLP) and parallelism, to determine the association between parts of the primary sequence of a protein and alpha-helices extracted from 3D low-resolution descriptions of large protein complexes. The association is determined by extracting constraints from the 3D information, regarding length, relative position and connectivity of helices, and solving these constraints with the guidance of a secondary structure prediction algorithm. Parallelism is employed to enhance performance on large proteins. The framework provides a fast, inexpensive alternative to determine the exact tertiary structure of unknown proteins.
authors.affiliation: Facolta di Scienze MM FF e NN, Dipartimento di Matematica, Universita di Parma, Parco Area delle Scienze 53/A, 43100 Parma, Italy. alessandro.dalpalu@unipr.it
authors.forename: Alessandro
authors.initials: A
authors.lastname: Dal Palù
authors.forename: Enrico
authors.initials: E
authors.lastname: Pontelli
authors.forename: Jing
authors.initials: J
authors.lastname: He
authors.forename: Yonggang
authors.initials: Y
authors.lastname: Lu
mesh_terms: D000465:Algorithms; D046912:Multiprotein Complexes / Q000737:chemistry*; D020836:Protein Structure, Quaternary; D017433:Protein Structure, Secondary
chemical_list: D046912:Multiprotein Complexes