Biomembrane Simulations Computational Studies of Biological Membranes 1st Edition Berkowitz 1351060295 781351060295

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Product details:

• ISBN 10: 1351060295
• ISBN 13: 781351060295
• Author: Max L. Berkowitz

Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields

Table of contents:

1. Force Fields for Biomembranes Simulations

2. Mesoscopic Particle-Based Modeling of Self-Assembled Lipid Membranes

3. Continuum Elastic Description of Processes in Membranes

4. Water between Membranes: Structure and Dynamics

5. Simulation Approaches to Short-Range Interactions between Lipid Membranes

6. Free-Energy Calculations of Pore Formation in Lipid Membranes

7. Free Energy Calculation of Membrane Translocation: What Works When, and Why?

8. Theories and Algorithms for Molecular Permeation through Membranes

9. Nanoparticle–Membrane Interactions: Surface Effects

10. Simulations of Membranes Containing General Anesthetics

11. Cation-Mediated Nanodomain Formation in Mixed Lipid Bilayers

12. Molecular Dynamics Simulations of Gram-Negative Bacterial Membranes

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