title: A framework for computational and experimental methods: identifying dimerization residues in CCR chemokine receptors.
abstract: Solving relevant biological problems requires answering complex questions. Addressing such questions traditionally implied the design of time-consuming experimental procedures which most of the time are not accessible to average-sized laboratories. The current trend is to move towards a multidisciplinary approach integrating both theoretical knowledge and experimental work. This combination creates a powerful tool for shedding light on biological problems. To illustrate this concept, we present here a descriptive example of where computational methods were shown to be a key aspect in detecting crucial players in an important biological problem: the dimerization of chemokine receptors. Using evolutionary based sequence analysis in combination with structural predictions two CCR5 residues were selected as important for dimerization and further validated experimentally. The experimental validation of computational procedures demonstrated here provides a wealth of valuable information not obtainable by any of the individual approaches alone.
authors.affiliation: Protein Design Group, National Center of Biotechnology (CNB-CSIC) Cantoblanco, Madrid, Spain.
authors.forename: David
authors.initials: D
authors.lastname: de Juan
authors.forename: Mario
authors.initials: M
authors.lastname: Mellado
authors.forename: José Miguel
authors.initials: JM
authors.lastname: Rodríguez-Frade
authors.forename: Patricia
authors.initials: P
authors.lastname: Hernanz-Falcón
authors.forename: Antonio
authors.initials: A
authors.lastname: Serrano
authors.forename: Antonio
authors.initials: A
authors.lastname: del Sol
authors.forename: Alfonso
authors.initials: A
authors.lastname: Valencia
authors.forename: Carlos
authors.initials: C
authors.lastname: Martínez-A
authors.forename: Ana María
authors.initials: AM
authors.lastname: Rojas
mesh_terms: D000595:Amino Acid Sequence; D000596:Amino Acids / Q000737:chemistry* / Q000276:immunology; D001665:Binding Sites; D019281:Dimerization; D008956:Models, Chemical; D018448:Models, Immunological; D008969:Molecular Sequence Data; D011485:Protein Binding; D019713:Receptors, CCR5 / Q000737:chemistry* / Q000276:immunology; D020539:Sequence Analysis, Protein / Q000379:methods*
chemical_list: D000596:Amino Acids; D019713:Receptors, CCR5