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Multi-Component Protein - Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein-Coupled Receptors

Kaczor, Agnieszka ; Guixa-Gonzalez, Ramon ; Carrio, Pau ; Poso, Antti ; Dove, Stefan ; Pastor, Manuel ; Selent, Jana



Abstract

In order to apply structure-based drug design techniques to GPCR complexes, it is essential to model their 3D structure. For this purpose, a multi-component protocol was derived based on protein-protein docking which generates populations of dimers compatible with membrane integration, considering all reasonable interfaces. At the next stage, we applied a scoring procedure based on up to eleven ...

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