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 theated new quantitative studies of the coupling between the proteins and the membrane. It is important to develop such a quantitative understanding at the molecular level because the effects of the coupling are seen to be physiologically and clinically significant. Here we review findings that offer i

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Beyond Standard Molecular Dynamics: Investigating the Molecular Mechanisms of G Protein-Coupled Recestandard molecular dynamics (MD) approaches, notwithstanding the current availability of specialized parallel computer architectures, and efficient simulation algorithms. Enhanced MD-based methods have started to assume an important role in the study of the rugged energy landscape of GPCRs by provid

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From Three-Dimensional GPCR Structure to Rational Ligand Discoverys individual elements will be introduced, covering amongst others the use of experimental data to steer the virtual screening process, ligand binding mode prediction, virtual screening for novel ligands, and rational structure-based virtual screening hit optimization. An overview of recent successfu

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GPCR & Company: Databases and Servers for GPCRs and Interacting Partnerstheir tasks, GPCRs interact with a variety of partners, including small molecules, lipids and proteins. They are accompanied by different proteins during all phases of their life cycle. Therefore, GPCR interactions with their partners are of great interest in basic cell-signaling research and in dru

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