رویکردهای محاسباتی به دینامیک پروتئین: از روش های کوانتومی تا روش های درشت دانه ۲۰۱۴
Computational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods 2014

1. Front Cover

2. Contents

3. Series Preface

4. Foreword

5. Preface

6. Acknowledgments

7. Editor

8. Contributors

9. Chapter 1: Dynamics : A Key to Protein Function

10. Chapter 2: Adaptive and Accurate Force-Based QM/MM Calculations

11. Chapter 3: Conformational and Chemical Landscapes of Enzyme Catalysis

12. Chapter 4: Interplay between Enzyme Function and Protein Dynamics : A Multiscale Approach to the Study of the NAG Kinase Family and Two Class II Aldolases

13. Chapter 5: Simplified Flexibility Analysis of Proteins

14. Chapter 6: ABSINTH Implicit Solvation Model and Force Field Paradigm for Use in Simulations of Intrinsically Disordered Proteins

15. Chapter 7: Intrinsically Disordered Protein : A Thermodynamic Perspective

16. Chapter 8: Long Molecular Dynamics Simulations of Intrinsically Disordered Proteins Reveal Preformed Structural Elements for Target Binding

17. Chapter 9: Multiscale Simulations of Large Conformational Changes of Disordered and Ordered Proteins Induced by Their Partners

18. Chapter 10: Coarse-Grained Simulation of Intrinsically Disordered Proteins

19. Chapter 11: Natural and Directed Evolution of Intrinsically Disordered Proteins

20. Chapter 12: Discrete Molecular Dynamics : Foundations and Biomolecular Applications

21. Chapter 13: Use of Ensemble Methods to Describe Biomolecular Dynamics by Small Angle X-Ray Scattering

22. Chapter 14: Bridging Experiments and Simulations : Structure Calculations with a Dynamical Touch

23. Back Cover