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Bioinformatics 2005 21(Suppl 2):ii13-ii18; doi:10.1093/bioinformatics/bti1101
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© The Author 2005. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions{at}oxfordjournals.org

A framework for computational and experimental methods: Identifying dimerization residues in CCR chemokine receptors

David de Juan 1, Mario Mellado 2, José Miguel Rodríguez-Frade 2, Patricia Hernanz-Falcón 2, Antonio Serrano 2, Antonio del Sol 1,2,{dagger}, Alfonso Valencia 1, Carlos Martínez-A 2 and Ana María Rojas 1,2,*

1Protein Design Group, National Center of Biotechnology (CNB-CSIC) Cantoblanco, Madrid, E-28049, Spain
2Department of Oncology and Immunology, National Center of Biotechnology (CNB-CSIC) Cantoblanco, Madrid, E-28049, Spain

*To whom correspondence should be addressed.

Summary: 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.

Contact: arojas{at}cnb.uam.es

Supplementary information: Supplementary data are available at Bioinformatics online.


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