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Computational Modeling of Membrane Bilayers 1st edition by Sidney Simon, Scott Feller, Dale Benos ISBN 0080879703 9780080879703

  • SKU: BELL-2169116
Computational Modeling of Membrane Bilayers 1st edition by Sidney Simon, Scott Feller, Dale Benos ISBN 0080879703 9780080879703
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Computational Modeling of Membrane Bilayers 1st edition by Sidney Simon, Scott Feller, Dale Benos ISBN 0080879703 9780080879703 instant download after payment.

Publisher: Academic Press
File Extension: PDF
File size: 9.27 MB
Pages: 1
Author: Scott E. Feller (Eds.)
ISBN: 0123738938, 9780123738936
Language: English
Year: 2008
Edition: 1

Product desciption

Computational Modeling of Membrane Bilayers 1st edition by Sidney Simon, Scott Feller, Dale Benos ISBN 0080879703 9780080879703 by Scott E. Feller (eds.) 0123738938, 9780123738936 instant download after payment.

Computational Modeling of Membrane Bilayers 1st edition by Sidney Simon, Scott Feller, Dale Benos - Ebook PDF Instant Download/Delivery:  0080879703, 9780080879703 
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ISBN 10: 0080879703
ISBN 13: 9780080879703
Author: Sidney Simon, Scott Feller, Dale Benos

Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology.


Computational Modeling of Membrane Bilayers 1st Table of contents:

Chapter 1. Considerations for Lipid Force Field Development

I. Introduction

II. Quantum Mechanics and Molecular Dynamics Based Parameter Optimization

III. Membrane Targets and Related Issues

IV. Summary and Perspectives

References

Chapter 2. Electrostatics in Biomolecular Simulations: Where Are We Now and Where Are We Heading?

I. Introduction

II. Importance of Long-Range Interactions in Simulations of Biological Systems

III. Overview of Methods and Their Applicability

IV. Non-Periodic Systems and Different Boundary Conditions

V. Applications and Latest Methodological Developments

VI. Final Notes on Software, Accuracy, and Speed

References

Chapter 3. Time and Length Scales in Lipid Bilayer Simulations

I. Introduction

II. Area per Lipid and Finite Size Effects

III. Undulations

IV. Peristaltic Fluctuations

V. Hydrocarbon Chain Dynamics

VI. Lateral Diffusion of Lipids

References

Chapter 4. Molecular Dynamics Simulation of Lipid-Protein Interactions

I. Introduction

II. Force Fields

III. Combining Force Fields

IV. Sampling Concerns

V. Validation of Lipid-Protein Simulations

VI. Conclusion and Perspective

References

Chapter 5. Implicit Modeling of Membranes

I. Introduction

II. Classes of Models

III. Interesting Problems in Implicit Membrane Modeling

IV. Conclusion

References

Chapter 6. Blue Matter: Scaling of N-Body Simulations to One Atom per Node

I. Introduction

II. Background on Massively Parallel Biomolecular Simulation

III. Inherent Concurrency of Molecular Dynamics

IV. Parallel Decompositions

V. Results

VI. Summary and Conclusions

References

Chapter 7. Multiscale Simulation of Membranes and Membrane Proteins: Connecting Molecular Interactio

I. Multiscale Aspects of Membrane Simulation: A Brief Review

II. New Multiscale Methods for Membrane Simulations

III. Selected Applications

IV. Summary

References

Chapter 8. Interactions between Small Molecules and Lipid Bilayers

Abbreviations

I. Introduction

II. Partitioning of Small Molecules in Lipid Bilayers

III. Conclusions

References

Chapter 9. On the Nature of Lipid Rafts: Insights from Molecularly Detailed Simulations of Model Bio

I. Introduction

II. Simulations

III. Concluding Remarks

References

Chapter 10. Atomistic and Mean Field Simulations of Lateral Organization in Membranes

I. Introduction

II. Molecular Dynamics Simulation of Hydrated Lipid Bilayers

III. General Issues in Force Feld Development for Biomolecular Simulations

IV. Simulation of Heterogeneous Lipid membranes

V. Application: A Mean Field Based Lipid Bilayer Model Based on MDSimulations

VI. Summary

References

Chapter 11. Molecular Modeling of the Structural Properties and Formation of High-Density Lipoprotei

I. Introduction

II. Methods

III. Structure of Discoidal HDL

IV. Formation of Discoidal HDL

V. Conclusions

References

Chapter 12. Gas Conduction of Lipid Bilayers and Membrane Channels

I. Introduction

II. Computational Methodology

III. Lipid-Mediated Gas Conduction

IV. Protein-Mediated Gas Conduction

V. Concluding Remarks

References

Chapter 13. A Brief Introduction to Voltage-Gated K+ Channels

I. Introduction

II. Structure of Kv Channels and Gating Mechanisms

III. Free Energy and Membrane Voltage

IV. Conclusion

References

Chapter 14. Computational Models for Electrified Interfaces

I. Introduction

II. General Concepts of Surface Charge and Co/Counter Ions

III. Continuum Models

IV. Bridging from the Continuum to Molecular Calculations

V. All-Atom Models

VI. Long-Term Trends

VII. Summary

References

Chapter 15. Charged Protein Side Chain Movement in Lipid Bilayers Explored with Free Energy Simulati

I. Introduction

II. Theoretical Perspectives

III. Experimental Hydrophobicity and Membrane Partitioning Models

IV. Fully Atomistic Computer Simulations

V. Reconciling Simulation and Experiment

VI. Conclusion and Implications

References

Index


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Tags: Sidney Simon, Scott Feller, Dale Benos, Computational Modeling, Membrane Bilayers

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