Protein Simulations book cover

Protein Simulations

Advances in Protein Chemistry

Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function.

Audience
Structural Biologists, Biochemists, Biophysicists, and molecular biologists

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Published: November 2003

Imprint: Academic Press

ISBN: 978-0-12-034266-2

Contents

  • Assessment of the Role of Computations in Structural BiologyForce Fields for Protein SimulationsProtein Fields for Protein SimulationsProtein Simulation and Drug DesignFree Energy Calculations and Ligand BindingMembrane Protein SimulationsLarge Scale Simulations of Protein Mechanics and FunctionStructure/Function Correlations of Enzymes using MMQM/MM and Related ApproachesCatalysis and Specificity in EnzymesAll-atom simulations of protein folding and unfolding

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