Computational Modeling of Membrane Bilayers

Computational Modeling of Membrane Bilayers

Author: V. Sundararajan

Publisher: Academic Press

Published: 2011-08-29

Total Pages: 493

ISBN-13: 0080879705

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Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. *Discusses the current stat of electrostatics in biomolecular simulations and future directions *Includes information on time and length scales in lipid bilayer simulations *Includes a chapter on the nature of lipid rafts


Book Synopsis Computational Modeling of Membrane Bilayers by : V. Sundararajan

Download or read book Computational Modeling of Membrane Bilayers written by V. Sundararajan and published by Academic Press. This book was released on 2011-08-29 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. *Discusses the current stat of electrostatics in biomolecular simulations and future directions *Includes information on time and length scales in lipid bilayer simulations *Includes a chapter on the nature of lipid rafts


Current Topics in Membranes

Current Topics in Membranes

Author: Scott E. Feller

Publisher:

Published: 2008

Total Pages: 466

ISBN-13:

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Book Synopsis Current Topics in Membranes by : Scott E. Feller

Download or read book Current Topics in Membranes written by Scott E. Feller and published by . This book was released on 2008 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt:


Computational Modeling of Membrane Bilayers

Computational Modeling of Membrane Bilayers

Author: V. Sundararajan

Publisher: Academic Press

Published: 2011-08-29

Total Pages: 493

ISBN-13: 0080920500

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Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. Discusses the current state of electrostatics in biomolecular simulations and future directions Includes information on time and length scales in lipid bilayer simulations Includes a chapter on the nature of lipid rafts


Book Synopsis Computational Modeling of Membrane Bilayers by : V. Sundararajan

Download or read book Computational Modeling of Membrane Bilayers written by V. Sundararajan and published by Academic Press. This book was released on 2011-08-29 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. Discusses the current state of electrostatics in biomolecular simulations and future directions Includes information on time and length scales in lipid bilayer simulations Includes a chapter on the nature of lipid rafts


Biomembrane Simulations

Biomembrane Simulations

Author: Max L. Berkowitz

Publisher: CRC Press

Published: 2019-04-30

Total Pages: 258

ISBN-13: 1351060309

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Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields. Presents a continuum description of membranes. Discusses a variety of issues such as influence of membrane surfaces on properties of water, interaction between membranes across water, nanoparticle permeation across the membrane, action of anesthetics and creation of inhomogeneous regions in membranes. Discusses important methodological issues when using simulations to examine phenomena such as pore creation and permeation across membranes. Discusses progress recently achieved in modeling bacterial membranes. It will be a valuable resource for graduate students, researchers and instructors in biochemistry, biophysics, pharmacology, physiology, and computational biology.


Book Synopsis Biomembrane Simulations by : Max L. Berkowitz

Download or read book Biomembrane Simulations written by Max L. Berkowitz and published by CRC Press. This book was released on 2019-04-30 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields. Presents a continuum description of membranes. Discusses a variety of issues such as influence of membrane surfaces on properties of water, interaction between membranes across water, nanoparticle permeation across the membrane, action of anesthetics and creation of inhomogeneous regions in membranes. Discusses important methodological issues when using simulations to examine phenomena such as pore creation and permeation across membranes. Discusses progress recently achieved in modeling bacterial membranes. It will be a valuable resource for graduate students, researchers and instructors in biochemistry, biophysics, pharmacology, physiology, and computational biology.


Computational Modeling of Biomolecular Systems: Molecular Mechanism of Membrane Binding of Peripheral Membrane Proteins

Computational Modeling of Biomolecular Systems: Molecular Mechanism of Membrane Binding of Peripheral Membrane Proteins

Author: Chun-Liang Lai

Publisher:

Published: 2013

Total Pages: 168

ISBN-13: 9781303228896

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Peripheral membrane targeting proteins play essential roles in numerous cellular trafficking and signaling pathways. At the molecular level, the interactions between lipids and protein side chains at the binding interfaces drive the membrane targeting. High-resolution techniques to describe the structure and dynamics of protein-membrane complex are valuable, however, detailed mechanistic analysis of membrane targeting events remains a great challenge. Molecular dynamics (MD) simulations have proven to be a useful tool in revealing molecular-level details at the binding interfaces. This thesis will describe the use of MD simulations, in some cases with experimental inputs, to investigate molecular membrane binding mechanisms for three biologically relevant peripheral membrane protein systems, including epsin N-terminal homology (ENTH), general receptor for phosphoinositides 1 (GRP1) PH, protein kinase C alpha (PKCalpha) C2 domains.


Book Synopsis Computational Modeling of Biomolecular Systems: Molecular Mechanism of Membrane Binding of Peripheral Membrane Proteins by : Chun-Liang Lai

Download or read book Computational Modeling of Biomolecular Systems: Molecular Mechanism of Membrane Binding of Peripheral Membrane Proteins written by Chun-Liang Lai and published by . This book was released on 2013 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt: Peripheral membrane targeting proteins play essential roles in numerous cellular trafficking and signaling pathways. At the molecular level, the interactions between lipids and protein side chains at the binding interfaces drive the membrane targeting. High-resolution techniques to describe the structure and dynamics of protein-membrane complex are valuable, however, detailed mechanistic analysis of membrane targeting events remains a great challenge. Molecular dynamics (MD) simulations have proven to be a useful tool in revealing molecular-level details at the binding interfaces. This thesis will describe the use of MD simulations, in some cases with experimental inputs, to investigate molecular membrane binding mechanisms for three biologically relevant peripheral membrane protein systems, including epsin N-terminal homology (ENTH), general receptor for phosphoinositides 1 (GRP1) PH, protein kinase C alpha (PKCalpha) C2 domains.


Computational Biophysics of Membrane Proteins

Computational Biophysics of Membrane Proteins

Author: Carmen Domene

Publisher: Royal Society of Chemistry

Published: 2016-11-30

Total Pages: 275

ISBN-13: 1782626697

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Exploring current themes in modern computational and membrane protein biophysics, this book presents a comprehensive account of the fundamental principles underlying different methods and techniques used to describe the intriguing mechanisms by which membrane proteins function. The book discusses the experimental approaches employed to study these proteins, with chapters reviewing recent crucial structural advances that have allowed computational biophysicists to discern how these molecular machines work. The book then explores what computational methods are available to researchers and what these have taught us about three key families of membrane proteins: ion channels, transporters and receptors. The book is ideal for researchers in computational chemistry and computational biophysics.


Book Synopsis Computational Biophysics of Membrane Proteins by : Carmen Domene

Download or read book Computational Biophysics of Membrane Proteins written by Carmen Domene and published by Royal Society of Chemistry. This book was released on 2016-11-30 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring current themes in modern computational and membrane protein biophysics, this book presents a comprehensive account of the fundamental principles underlying different methods and techniques used to describe the intriguing mechanisms by which membrane proteins function. The book discusses the experimental approaches employed to study these proteins, with chapters reviewing recent crucial structural advances that have allowed computational biophysicists to discern how these molecular machines work. The book then explores what computational methods are available to researchers and what these have taught us about three key families of membrane proteins: ion channels, transporters and receptors. The book is ideal for researchers in computational chemistry and computational biophysics.


Cutting and Packing in Production and Distribution

Cutting and Packing in Production and Distribution

Author: Harald Dyckhoff

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 256

ISBN-13: 364258165X

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Cutting and packing problems such as the cutting of sheet metal and the loading of contain ers or, in a more abstract sense, capital budgeting or assembly line balancing have been treated in scientific literature of various disciplines for about fifty years. Since the pioneer work of Kantorovich in 1939, which frrst appeared in the West in 1960, there has been a steadily growing number of contributions of increasing importance in this research area, particularly in the past decade. As of today more than 700 contributions exist even when applying a strict categorisation. Since comprehensive monographies and compiled studies are still lacking, it is very time consuming and thus expensive to search for a suitable solution procedure for concrete problems in the available literature. Thus, an apparently simpler way is often chosen, which is to develop ones own approach. For this reason there is not only the danger of unnecessary effort and scientific repetition, but it is reality. With the goal of improved research coordination an interdisciplinary Special Interest Group on Cutting and Packing (SICUP) was founded in 1988, which meets every two years (1988 Paris, 1990 Athens, 1992 San Francisco) and issues a semi-annual newsletter (SICUP Bulletin) with up-to-date information. This book is intended to assist in the coordination of research work in this area.


Book Synopsis Cutting and Packing in Production and Distribution by : Harald Dyckhoff

Download or read book Cutting and Packing in Production and Distribution written by Harald Dyckhoff and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cutting and packing problems such as the cutting of sheet metal and the loading of contain ers or, in a more abstract sense, capital budgeting or assembly line balancing have been treated in scientific literature of various disciplines for about fifty years. Since the pioneer work of Kantorovich in 1939, which frrst appeared in the West in 1960, there has been a steadily growing number of contributions of increasing importance in this research area, particularly in the past decade. As of today more than 700 contributions exist even when applying a strict categorisation. Since comprehensive monographies and compiled studies are still lacking, it is very time consuming and thus expensive to search for a suitable solution procedure for concrete problems in the available literature. Thus, an apparently simpler way is often chosen, which is to develop ones own approach. For this reason there is not only the danger of unnecessary effort and scientific repetition, but it is reality. With the goal of improved research coordination an interdisciplinary Special Interest Group on Cutting and Packing (SICUP) was founded in 1988, which meets every two years (1988 Paris, 1990 Athens, 1992 San Francisco) and issues a semi-annual newsletter (SICUP Bulletin) with up-to-date information. This book is intended to assist in the coordination of research work in this area.


Computational Modeling And Simulations Of Biomolecular Systems

Computational Modeling And Simulations Of Biomolecular Systems

Author: Benoit Roux

Publisher: World Scientific

Published: 2021-08-23

Total Pages: 209

ISBN-13: 9811232776

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This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).


Book Synopsis Computational Modeling And Simulations Of Biomolecular Systems by : Benoit Roux

Download or read book Computational Modeling And Simulations Of Biomolecular Systems written by Benoit Roux and published by World Scientific. This book was released on 2021-08-23 with total page 209 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).


Computational Modeling of Biological Membrane and Interface Dynamics

Computational Modeling of Biological Membrane and Interface Dynamics

Author: Erik Lindahl

Publisher:

Published: 2001

Total Pages: 74

ISBN-13: 9789172830882

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Book Synopsis Computational Modeling of Biological Membrane and Interface Dynamics by : Erik Lindahl

Download or read book Computational Modeling of Biological Membrane and Interface Dynamics written by Erik Lindahl and published by . This book was released on 2001 with total page 74 pages. Available in PDF, EPUB and Kindle. Book excerpt:


Liposomes, Lipid Bilayers and Model Membranes

Liposomes, Lipid Bilayers and Model Membranes

Author: Georg Pabst

Publisher: CRC Press

Published: 2014-03-04

Total Pages: 482

ISBN-13: 1466507098

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As a result of their unique physical properties, biological membrane mimetics, such as liposomes, are used in a broad range of scientific and technological applications. Liposomes, Lipid Bilayers and Model Membranes: From Basic Research to Application describes state-of-the-art research and future directions in the field of membranes, which has evolved from basic studies of the physicochemical properties of amphiphiles to their application in industry and medicine. Written by leading researchers in their fields, this book describes basic and applied research, and serves as a useful reference for both the novice and the expert. Part one covers a range of basic research topics, from theory and computational simulations to some of the most up-to-date experimental research. Topics discussed include soft matter physics of membranes, nonlamellar phases, extraction of molecules by amphiphiles, lipid models for membrane rafts, membrane dynamics, nanodiscs, microemulsions, active membranes, as well as interactions of bilayers with drugs or DNA to treat disease or for gene transfer, respectively. Part two of the book focuses on technological applications of amphiphiles, such as liposome-based nanoparticles for drug delivery, formulation of liposomes for prolonged in vivo circulation and functionalization for medical purposes, novel drug delivery systems for increased drug loading, and the use of tethered membranes for bio-sensing applications. Chapters also describe the use of liposomes in textile dyeing and how lipidic nanoparticles are used by the food industry.


Book Synopsis Liposomes, Lipid Bilayers and Model Membranes by : Georg Pabst

Download or read book Liposomes, Lipid Bilayers and Model Membranes written by Georg Pabst and published by CRC Press. This book was released on 2014-03-04 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a result of their unique physical properties, biological membrane mimetics, such as liposomes, are used in a broad range of scientific and technological applications. Liposomes, Lipid Bilayers and Model Membranes: From Basic Research to Application describes state-of-the-art research and future directions in the field of membranes, which has evolved from basic studies of the physicochemical properties of amphiphiles to their application in industry and medicine. Written by leading researchers in their fields, this book describes basic and applied research, and serves as a useful reference for both the novice and the expert. Part one covers a range of basic research topics, from theory and computational simulations to some of the most up-to-date experimental research. Topics discussed include soft matter physics of membranes, nonlamellar phases, extraction of molecules by amphiphiles, lipid models for membrane rafts, membrane dynamics, nanodiscs, microemulsions, active membranes, as well as interactions of bilayers with drugs or DNA to treat disease or for gene transfer, respectively. Part two of the book focuses on technological applications of amphiphiles, such as liposome-based nanoparticles for drug delivery, formulation of liposomes for prolonged in vivo circulation and functionalization for medical purposes, novel drug delivery systems for increased drug loading, and the use of tethered membranes for bio-sensing applications. Chapters also describe the use of liposomes in textile dyeing and how lipidic nanoparticles are used by the food industry.