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Coarse-graining of condensed phase and biomolecular systems /
edited by Gregory A. Voth.
imprint
Boca Raton : Taylor & Francis, c2009.
description
xviii, 455 p.
ISBN
1420059556 (hardcover : alk. paper), 9781420059557 (hardcover : alk. paper)
format(s)
Book
Holdings
More Details
added author
imprint
Boca Raton : Taylor & Francis, c2009.
isbn
1420059556 (hardcover : alk. paper)
9781420059557 (hardcover : alk. paper)
catalogue key
6664040
 
Includes bibliographical references and index.
A Look Inside
Reviews
This item was reviewed in:
SciTech Book News, March 2009
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Summaries
Bowker Data Service Summary
This is the first book completely devoted to exploring the state-of-the-art course-graining techniques for molecular simulations. Leading contributors discuss a broad range of topics, including nucleic acids, minimalist nodels for protein folding, mixed resolution course graining and elastic network models of protein complexes.
Main Description
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systemsexamines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems.Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors carefully detail their own coarse-graining approach, exploring its motivation, strengths, weaknesses, and important application examples. They discuss two of the most successful coarse-graining schemes for soft matter: inverse and multiscale coarse-graining. The book also describes current coarse-grained model development for peptides and proteins at the amino acid level and larger length scales.Assembling the work of some of the most influential, world-renowned researchers in the field, this book provides aunified, in-depth overview of all the coarse-grained schemes developed for condensed phase and biomolecular systems. It shows the promise of coarse-graining as a revolutionary advancement in the scientific community.
Main Description
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors carefully detail their own coarse-graining approach, exploring its motivation, strengths, weaknesses, and important application examples. They discuss two of the most successful coarse-graining schemes for soft matter: inverse and multiscale coarse-graining. The book also describes current coarse-grained model development for peptides and proteins at the amino acid level and larger length scales. Assembling the work of some of the most influential, world-renowned researchers in the field, this book provides a unified, in-depth overview of all the coarse-grained schemes developed for condensed phase and biomolecular systems. It shows the promise of coarse-graining as a revolutionary advancement in the scientific community.
Table of Contents
Acknowledgmentsp. ix
Editorp. xi
Contributorsp. xiii
Introductionp. 1
The MARTINI Force Fieldp. 5
The Multiscale Coarse-Graining Method: A Systematic Approach to Coarse-Grainingp. 21
A Model for Lipid Bilayers in Implicit Solventp. 41
Coarse-Grained Dynamics of Anisotropic Systemsp. 59
State-Point Dependence and Transferability of Potentials in Systematic Structural Coarse-Grainingp. 69
Systematic Approach to Coarse-Graining of Molecular Descriptions and Interactions with Applications to Lipid Membranesp. 83
Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Fieldp. 107
Coarse-Grained Structure-Based Simulations of Proteins and RNAp. 123
On the Development of Coarse-Grained Protein Models: Importance of Relative Side-Chain Orientations and Backbone Interactionsp. 141
Characterization of Protein-Folding Landscapes by Coarse-Grained Models Incorporating Experimental Datap. 157
Principles and Practicalities of Canonical Mixed-Resolution Sampling of Biomoleculesp. 171
Pathways of Conformational Transitions in Proteinsp. 185
Insights into the Sequence-Dependent Macromolecular Properties of DNA from Base-Pair Level Modelingp. 205
Coarse-Grained Models for Nucleic Acids and Large Nucleoprotein Assembliesp. 225
Elastic Network Models of Coarse-Grained Proteins Are Effective for Studying the Structural Control Exerted over Their Dynamicsp. 237
Coarse-Grained Elastic Normal Mode Analysis and Its Applications in X-Ray Crystallographic Refinement at Moderate Resolutionsp. 255
Coarse-Grained Normal Mode Analysis to Explore Large-Scale Dynamics of Biological Moleculesp. 267
One-Bead Coarse-Grained Models for Proteinsp. 285
Application of Residue-Based and Shape-Based Coarse-Graining to Biomolecular Simulationsp. 299
Coarse-Graining Protein Mechanicsp. 317
Self-Assembly of Surfactants in Bulk Phases and at Interfaces Using Coarse-Grain Modelsp. 329
Coarse-Grained Simulations of Polyelectrolytesp. 343
Monte Carlo Simulations of a Coarse-Grain Model for Block Copolymer Systemsp. 361
Structure-Based Coarse- and Fine-Graining in Soft Matter Simulationsp. 379
From Atomistic Modeling of Macromolecules Toward Equations of State for Polymer Solutions and Melts: How Important Is the Accurate Description of the Local Structure?p. 399
Effective Interaction Potentials for Coarse-Grained Simulations of Polymer-Tethered Nanoparticle Self-Assembly in Solutionp. 415
Coarse-Graining in Time: From Microscopics to Macroscopicsp. 433
Indexp. 449
Table of Contents provided by Ingram. All Rights Reserved.

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