Titlebook: Computational Methods for GPCR Drug Discovery; Alexander Heifetz Book 2018 Springer Science+Business Media LLC 2018 G protein-coupled rece

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Benjamin Nienass,Alexandra Délano application of the same computational protocols to investigate this diverse group of receptor families gives an idea of the general applicability of our methodology in the characterization of GPCR-ligand binding.

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Current and Future Challenges in GPCR Drug Discovery,nderstanding of these proteins as well as to drive drug discovery. Such drug discovery activities range from the design of orthosteric site inhibitors through, for example, allosteric modulators, biased ligands, partial agonists and bitopic ligands. Herein, these topics are outlined through specific

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Molecular Basis of Ligand Dissociation from G Protein-Coupled Receptors and Predicting Residence Ti we review what is currently known about the dynamics of GPCRs in the context of ligand association and dissociation, as determined through both crystallography and computer simulations. We particularly focus on the molecular basis of ligand dissociation from GPCRs and provide case studies that pred