A multi-step approach including models’ construction (multiple sequence alignment, homology modeling), complex assembling (protein complex refinement with HADDOCK and complex equilibration), and protein-protein interface (PPI) characterization (including both structural and dynamics analysis) were performed. Our database can be easily applied to several GPCR sub-families, to determine the key structural and dynamical determinants involved in GPCR coupling selectivity.
Decoding Partner Specificity of Opioid Receptor Family Barreto C.A.V. Baptista S.J. Preto A.J. Silverio D. Melo R. Moreira I.S.Frontiers in Molecular Biosciences, 2021Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Rec