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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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书目名称G Protein-Coupled Receptors - Modeling and Simulation
编辑Marta Filizola
视频video
概述This book is unique in its sort.The GPCR field is fast evolving, and computational techniques such as those described in this book, are becoming more and more utilized.Includes state-of-the-art views
丛书名称Advances in Experimental Medicine and Biology
图书封面Titlebook: G Protein-Coupled Receptors - Modeling and Simulation;  Marta Filizola Book 2014 The Editor(s) (if applicable) and The Author(s), under exc
描述G protein-coupled receptors (GPCRs) are heptahelical transmembrane receptors that convert extra-cellular stimuli into intra-cellular signaling, and ultimately into biological responses. Since GPCRs are natural targets for approximately 40% of all modern medicines, it is not surprising that they have been the subject of intense research. Notwithstanding the amount of data generated over the years, discovering ligands of these receptors with optimal therapeutic properties is not straightforward and has certainly been hampered for years by the lack of high-resolution structural information about these receptors. Luckily, there has been a steady increase of high-resolution crystal structures of these receptors since 2007, and this information, integrated with dynamic inferences from computational and experimental methods, holds great potential for the discovery of new, improved drugs. This book, 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
出版日期Book 2014
关键词Bioinformatics; Computational Methods; G Protein-Coupled Receptors; GPCR Dynamics; GPCR Structure; Protei
版次1
doihttps://doi.org/10.1007/978-94-007-7423-0
isbn_softcover978-94-024-0258-2
isbn_ebook978-94-007-7423-0Series ISSN 0065-2598 Series E-ISSN 2214-8019
issn_series 0065-2598
copyrightThe Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature B.V. 201
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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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