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Real-time Biomolecular Simulations [Hardback]

  • Formāts: Hardback, 160 pages, height x width x depth: 231x158x16 mm, weight: 379 g, 50 Illustrations
  • Izdošanas datums: 16-Jan-2007
  • Izdevniecība: McGraw-Hill Professional
  • ISBN-10: 0071460713
  • ISBN-13: 9780071460712
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  • Formāts: Hardback, 160 pages, height x width x depth: 231x158x16 mm, weight: 379 g, 50 Illustrations
  • Izdošanas datums: 16-Jan-2007
  • Izdevniecība: McGraw-Hill Professional
  • ISBN-10: 0071460713
  • ISBN-13: 9780071460712
Citas grāmatas par šo tēmu:
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Dramatically Accelerate the Biomolecular Simulation Process Without Losing AccuracyReal-Time Biomolecular Simulations provides you with proven strategies for shortening the time between product research, breakthrough, and introduction into the market. Based on the author's own innovative research, this rigorous, groundbreaking guide demonstrates how the simulation process can be accelerated yet still provide accurate, dependable results.

Everything needed to perform accurate biomolecular simulations in real-time:





Algorithms, novel cluster, and grid computing paradigms that enable accurate real-time simulation of biological systems Computational methods for calculating energies and forces Various techniques for sampling, calculating, and performing simulations

INSIDE Real-Time Biomolecular Simulations:





Introduction to the Dynamics of Biomolecular Systems Classical and Statistical Mechanics of Biomolecular Systems Multiple Time Scale Analysis Protein Dynamics DNA and RNA Dynamics Towards Whole Cell Dynamics
Preface v
One The World of Biological Macromolecules 1
Structure of Biological Molecules
1
Amino Acids, Peptides, and Proteins
5
Carbohydrates
12
Nucleotide
18
Lipids and Fats
22
Solvent Composition and Molecular Structure Information
27
References
29
Two Cellular Systems Biology 31
External/Internal Communication and Transport Pathways
32
Enzymatic and Biochemical Production Systems
35
Reproduction or Division Systems
37
Mechanical Work, Motility Systems, and Structural Support Systems
42
Information Systems, Check Pointing/Safety, and Reliability
44
Time and Length Scales
48
References
49
Three The Dynamics of Single, Isolated Biological Macromolecules 51
Dominant Term Analysis
52
Force Descriptions
57
Molecular Dynamics and Brownian Dynamics for Isolated Biological Macromolecules
65
Anisotropic Diffusion of Biological Macromolecules
74
Restructuring of Water and Local Water Viscosities
75
References
79
Four Dynamics of Interacting Biological Macromolecules 81
Types and Examples of Biological Macromolecular Interactions
82
Molecular Dynamics and Brownian Dynamics for Interacting Biological Macromolecules
86
A New Force from the Solvent
89
Models of Binding Kinetics
92
The Importance of Conformational Changes
104
References
105
Five Toward a Whole Cell Description 107
From the Microscopic to the Macroscopic Description
108
Cellular Anatomy and Pathway Analysis
108
Dynamic Rate Equations and Pathway Integration
111
The Cell as a Dynamic Chemical Processing Plant
121
References
122
A The Euler Angles 125
B Liouville Equation, Fokker-Planck Equation (FP Brownian Dynamics), and Smoluchowski Equation (Sm Brownian Dynamics) 131
Index 149


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