Real-time Biomolecular Simulations

1st Edition
0071460713 · 9780071460712
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Chapter One: The World of Biological Macromolecules

Chapter Two: Cellular Systems Biology

Chapter Three: The Dynamics of Single, Isolated Biological Macromolecules

Chapter Four: Dynamics of Interacting Biological Macromolecules

Chapter Five: Toward a Whole Cell Description

APPENDIX A: THE EULER ANGLES

APPENDIX B: LIOUVILLE EQUATION, FOKKER-PLANCK EQUATION (FP BROWNIAN DYNAMICS), AND SMOLUCHOWSKI EQUATION (Sm BROWNIAN DYNAMICS)

INDEX

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Dramatically Accelerate the Biomolecular Simulation Process Without Losing Accuracy

Real-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