Computational chemistry methods in structural biology

Edited by

  • Christo Christov, Northumbria University, UK

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


Book information

  • Published: September 2011
  • ISBN: 978-0-12-386485-7

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