Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology.

Key Features

Essential resource for protein chemists
This volume features articles on Computational Chemistry methods in Structural Biology


Biochemists, biophysicists, cell biologists, protein chemists, structural geneticists, and structural biologists

Table of Contents

  1. New computational strategies for designing enzyme inhibitors
    Juan Andres
  2. Theoretical Investigation of enzyme-inhibitor interactions
    Alessio Lodola
  3. Recent advances in molecular modelling of endocrine disruptors
    Ivanka Tsakovska
  4. Multiscale Simulation Methods for Mapping Conformational Ensembles of G-Protein Coupled Receptors
    Nagarajan Vaidehi
  5. Advances in implicit models of water solvent for method vof molecular dynamics and applications to study macromolecular complexes, ligand docking and pH-dependent effects
    Yury Vorobjev
  6. Free Energy Methods for the Prediction and Analysis of Protein-Ligand Binding Affinities
    Emilio Gallicchio
  7. Coarse-Grained Modelling of Protein Flexibility
    Modesto Orozco


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© 2011
Academic Press
Print ISBN:
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