Cover; Computational Modeling of Membrane Bilayers; Copyright page; Contents; Contributors; Preface; Previous Volumes in Series; 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 ApplicabilityIV. 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 FieldsIV. 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 Interactions to Mesoscopic BehaviorI. 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 Biological Membranes Containing Mixtures of Cholesterol and PhospholipidsI. 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