Protein Simulations

Advances in Protein Chemistry

Edited by

  • Valerie Daggett, University of Washington, Seattle, Washington, U.S.A.

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.
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Structural Biologists, Biochemists, Biophysicists, and molecular biologists


Book information

  • Published: November 2003
  • ISBN: 978-0-12-034266-2

Table of 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