Computational Modeling approaches to structure-function analysis of G protein-coupled receptors

G protein-coupled receptors (GPCRs) constitute the largest family of signal transduction membrane proteins. Generally, GPCRs are the most privileged targets for the drugs currently used in clinics and for the wealth of drug candidates that high throughput methods promise to deliver in the immediate future. This review covers the results of computational experiments attempted over the last 16 years to gain insights into different aspects of family A GPCR function. Topics discussed include the (i) structural features of rhodopsin: the founder of family A GPCRs, (ii) computational approaches to GPCR model building, (iii) computational experiments on family A GPCRs, (iv) GPCR oligomerization, and (v) receptor-G protein interaction.