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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
Contents
Chapter One: The World of Biological MacromoleculesChapter Two: Cellular Systems BiologyChapter Three: The Dynamics of Single, Isolated Biological MacromoleculesChapter Four: Dynamics of Interacting Biological MacromoleculesChapter Five: Toward a Whole Cell DescriptionAPPENDIX A: THE EULER ANGLESAPPENDIX B: LIOUVILLE EQUATION, FOKKER-PLANCK EQUATION (FP BROWNIAN DYNAMICS), AND SMOLUCHOWSKI EQUATION (Sm BROWNIAN DYNAMICS)INDEX
