Titlebook: G Protein-Coupled Receptors - Modeling and Simulation; Marta Filizola Book 2014 The Editor(s) (if applicable) and The Author(s), under exc

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How the Dynamic Properties and Functional Mechanisms of GPCRs Are Modulated by Their Coupling to thee membrane-facing surface of GPCRs in their interaction with the surrounding membrane. As the radial asymmetry creates adjacencies of hydrophobic and polar residues at specific sites of the GPCR, the ability of membrane remodeling to achieve complete hydrophobic matching is limited, and the residual

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Coarse-Grained Molecular Dynamics Provides Insight into the Interactions of Lipids and Cholesterol wmicking those found naturally. Our results agree with those found experimentally and in previous simulations, but with far better statistical certainty. The results demonstrate the value of combining all-atom and coarse-grained models with experiment to provide a well-rounded view of lipid-protein i

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Mathematical Modeling of G Protein-Coupled Receptor Function: What Can We Learn from Empirical and Mn be extremely useful for the understanding of receptor function, ligand classification and drug discovery, thus providing a common language for the communication between pharmacologists and medicinal chemists.

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Bioinformatics Tools for Predicting GPCR Gene Functions is performed according to their protein-protein interaction type: binding G-protein type, oligomerized partner type, etc. Those methods have achieved predictive accuracies of around 90 %. Finally, I described the future subject of research of the bioinformatics technique about functional prediction

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Book 2014ook, which provides, for the first time, state-of-the-art views on modeling and simulation of GPCRs, is divided into 4 parts. In the first part, the impact of currently available GPCR crystal structures on structural modeling is discussed extensively as are critical insights from simulations in the

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https://doi.org/10.1007/978-1-4899-5235-6 kink angle on the transmembrane helix6. The activation mechanism of the β.-adrenergic receptor has been studied using multiscale computational methods. The results of these studies showed that the receptor without any ligand bound, samples conformations that resemble some of the structural characte

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