Molecular Simulations and Biomembranes
The need for information in the understanding of membrane systems has been caused by three things - an increase in computer power; methodological developments and the recent expansion in the number of researchers working on it worldwide. However, there has been no up-to-date book that covers the application of simulation methods to membrane systems directly and this book fills an important void in the market. It provides a much needed update on the current methods and applications as well as highlighting recent advances in the way computer simulation can be applied to the field of membranes and membrane proteins. The objectives are to show how simulation methods can provide an important contribution to the understanding of these systems. The scope of the book is such that it covers simulation of membranes and membrane proteins, but also covers the more recent methodological developments such as coarse-grained molecular dynamics and multiscale approaches in systems biology. Applications embrace a range of biological processes including ion channel and transport proteins. The book is wide ranging with broad coverage and a strong coupling to experimental results wherever possible, including colour illustrations to highlight particular aspects of molecular structure. With an internationally respected list of authors, its publication is timely and it will prove indispensable to a large scientific readership.
Molecular Simulations and Biomembranes, The Royal Society of Chemistry, 2010.
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Table of contents
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Chapter 1: Methods and Parameters for Membrane Simulationsp1-25ByD. Peter TielemanD. Peter TielemanDepartment of Biological SciencesUniversity of Calgary, 2500 University Drive NW, CalgaryAlbertaT2N 1N4CanadaSearch for other works by this author on:
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Chapter 2: Lateral Pressure Profiles in Lipid Membranes: Dependence on Molecular Compositionp26-55ByO. H. Samuli Ollila;O. H. Samuli OllilaDepartment of PhysicsTampere University of Technology, P.O. Box 692FI-33101TampereFinlandSearch for other works by this author on:Ilpo VattulainenIlpo VattulainenDepartment of Applied PhysicsHelsinki University of Technology, P.O. Box 1100, FI-02015 HUT, Finland, and Memphys – Center for Biomembrane Physics, Physics Department, University of Southern Denmark, Campusvej 55DK-5230Odense MDenmarkSearch for other works by this author on:
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Chapter 3: Coarse-grained Molecular Dynamics Simulations of Membrane Proteinsp56-75BySarah Rouse;Sarah RouseDepartment of BiochemistryUniversity of Oxford, South Parks RoadOxfordOX1 3QUUKSearch for other works by this author on:Timothy Carpenter;Timothy CarpenterDepartment of BiochemistryUniversity of Oxford, South Parks RoadOxfordOX1 3QUUKSearch for other works by this author on:Mark S. P. SansomMark S. P. SansomDepartment of BiochemistryUniversity of Oxford, South Parks RoadOxfordOX1 3QUUKSearch for other works by this author on:
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Chapter 4: Passive Permeation Across Lipid Bilayers: a Literature Reviewp76-90ByMario Orsi;Mario OrsiSchool of Chemistry, University of SouthamptonHighfield, Southampton SO17 1BJUKSearch for other works by this author on:Jonathan W. EssexJonathan W. EssexSchool of Chemistry, University of SouthamptonHighfield, Southampton SO17 1BJUKSearch for other works by this author on:
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Chapter 5: Implicit Membrane Models For Peptide Folding and Insertion Studiesp91-145ByMartin B. Ulmschneider;Martin B. UlmschneiderDepartment of Physiology and Biophysics, University of California at IrvineIrvineCA 92697USASearch for other works by this author on:Jakob P. UlmschneiderJakob P. UlmschneiderInterdisciplinary Center for Scientific Computing (IWR), University of HeidelbergIm Neuenheimer Feld 368D-69120HeidelbergGermanySearch for other works by this author on:
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Chapter 6: Multi-scale Simulations of Membrane Sculpting by N-BAR Domainsp146-176ByYing Yin;Ying YinDepartment of Physics and Beckman Institute, University of Illinois at Urbana–Champaign, 405 N. MathewsUrbanaIL 61801USASearch for other works by this author on:Anton Arkhipov;Anton ArkhipovDepartment of Physics and Beckman Institute, University of Illinois at Urbana–Champaign, 405 N. MathewsUrbanaIL 61801USASearch for other works by this author on:Klaus SchultenKlaus SchultenDepartment of Physics and Beckman Institute, University of Illinois at Urbana–Champaign, 405 N. MathewsUrbanaIL 61801USASearch for other works by this author on:
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Chapter 7: Continuum Electrostatics and Modeling of K+ Channelsp177-202ByJanice L. Robertson;Janice L. RobertsonDepartment of Physiology, Biophysics and Systems Biology, Weill Graduate School of Cornell UniversityNew York, NY10021USADepartment of Biochemistry and Molecular Biology, The University of ChicagoChicago, IL60637USASearch for other works by this author on:Vishwanath Jogini;Vishwanath JoginiDepartment of Biochemistry and Molecular Biology, The University of ChicagoChicago, IL60637USASearch for other works by this author on:Benoît RouxBenoît RouxDepartment of Biochemistry and Molecular Biology, The University of ChicagoChicago, IL60637USASearch for other works by this author on:
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Chapter 8: Computational Approaches to Ionotropic Glutamate Receptorsp203-224ByRanjit Vijayan;Ranjit VijayanDepartment of Biochemistry, University of OxfordSouth Parks RoadOxfordOX1 3QUUKSearch for other works by this author on:Bogdan Iorga;Bogdan IorgaInstitut de Chimie des Substances NaturellesCNRS UPR 2301, avenue de la TerrasseF-91198Gif-sur-YvetteFranceSearch for other works by this author on:Philip C. BigginPhilip C. BigginDepartment of Biochemistry, University of OxfordSouth Parks RoadOxfordOX1 3QUUKSearch for other works by this author on:
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Chapter 9: Molecular Dynamics Studies of Outer Membrane Proteins: a Story of Barrelsp225-247BySyma Khalid;Syma KhalidSchool of Chemistry, University of Southampton, HighfieldSouthamptonSO17 1BJUKSearch for other works by this author on:Marc BaadenMarc BaadenInstitut de Biologie Physico-Chimique, Laboratoire de Biochimie Théorique, CNRS UPR 9080, 13 rue Pierre et Marie CurieF-75005ParisFranceSearch for other works by this author on:
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Chapter 10: Molecular Mechanisms of Active Transport Across the Cellular Membranep248-286ByPo-Chao Wen;Po-Chao WenDepartment of Biochemistry, Center for Biophysics and Computational Biology, and Beckman Institute, University of Illinois at Urbana–Champaign405 N. MathewsUrbanaIL 61801USASearch for other works by this author on:Zhijian Huang;Zhijian HuangDepartment of Biochemistry, Center for Biophysics and Computational Biology, and Beckman Institute, University of Illinois at Urbana–Champaign405 N. MathewsUrbanaIL 61801USASearch for other works by this author on:Giray Enkavi;Giray EnkaviDepartment of Biochemistry, Center for Biophysics and Computational Biology, and Beckman Institute, University of Illinois at Urbana–Champaign405 N. MathewsUrbanaIL 61801USASearch for other works by this author on:Emad TajkhorshidEmad TajkhorshidDepartment of Biochemistry, Center for Biophysics and Computational Biology, and Beckman Institute, University of Illinois at Urbana–Champaign405 N. MathewsUrbanaIL 61801USASearch for other works by this author on:
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Chapter 11: Molecular Dynamics Studies of the Interactions Between Carbon Nanotubes and Biomembranesp287-305ByE. Jayne Wallace;E. Jayne WallaceDepartment of Biochemistry, University of OxfordOxfordOX1 3QUUKSearch for other works by this author on:Mark S. P. SansomMark S. P. SansomDepartment of Biochemistry, University of OxfordOxfordOX1 3QUUKSearch for other works by this author on:
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