Book 2014

Protein Modelling

Editors:

ISBN: 978-3-319-09975-0 (Print) 978-3-319-09976-7 (Online)

Table of contents (12 chapters)

  1. Front Matter

    Pages i-viii

  2. No Access

    Chapter

    Pages 1-4

    Introduction

  3. No Access

    Chapter

    Pages 5-50

    Quantum Chemical Calculations on Small Protein Models

  4. No Access

    Chapter

    Pages 51-70

    Car-Parrinello Simulations of Chemical Reactions in Proteins

  5. No Access

    Chapter

    Pages 71-89

    Strictly Localised Molecular Orbitals in QM/MM Methods

  6. No Access

    Chapter

    Pages 91-134

    Polarizable Force Fields for Proteins

  7. No Access

    Chapter

    Pages 135-163

    Continuum Electrostatic Analysis of Proteins

  8. No Access

    Chapter

    Pages 165-174

    Molecular Mechanics/Coarse-Grained Models

  9. No Access

    Chapter

    Pages 175-197

    Modelling the Dynamic Architecture of Biomaterials Using Continuum Mechanics

  10. No Access

    Chapter

    Pages 199-221

    Structure Prediction of Transmembrane Proteins

  11. No Access

    Chapter

    Pages 223-248

    Dynamics of Small, Folded Proteins

  12. No Access

    Chapter

    Pages 249-286

    Protein Ligand Docking in Drug Discovery

  13. No Access

    Chapter

    Pages 287-322

    ADMET Prediction Based on Protein Structures

  14. Back Matter

    Pages 323-329