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Contents Series Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ix About the Editor. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xi Contributors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xiii 1. Force Fields for Biomembranes Simulations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 Alexander P. Lyubartsev and Alexander L. Rabinovich 2. Mesoscopic Particle-Based Modeling of Self-Assembled Lipid Membranes . . . . . . . . . . . . . . 27 Mohamed Laradji and Maria Maddalena Sperotto 3. Continuum Elastic Description of Processes in Membranes . . . . . . . . . . . . . . . . . . . . . . . . . . 51 Alexander J. Sodt 4. Water between Membranes: Structure and Dynamics. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69 Sotiris Samatas, Carles Calero, Fausto Martelli, and Giancarlo Franzese 5. Simulation Approaches to Short-Range Interactions between Lipid Membranes . . . . . . . . . . 89 Matej Kanduc, Alexander Schlaich, Bartosz Kowalik, Amanuel Wolde-Kidan, Roland R. Netz, and Emanuel Schneck 6. Free-Energy Calculations of Pore Formation in Lipid Membranes . . . . . . . . . . . . . . . . . . . . 109 N. Awasthi and J. S. Hub 7. Free Energy Calculation of Membrane Translocation: What Works When, and Why?. . . . . 125 Nihit Pokhrel and Lutz Maibaum 8. Theories and Algorithms for Molecular Permeation through Membranes. . . . . . . . . . . . . . . 145 Alfredo E. Cardenas and Ron Elber 9. Nanoparticle-Membrane Interactions: Surface Effects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 G. Rossi, S. Salassi, F. Simonelli, A. Bartocci, and L. Monticelli 10. Simulations of Membranes Containing General Anesthetics . . . . . . . . . . . . . . . . . . . . . . . . . 177 Pal Jedlovszky 11. Cation-Mediated Nanodomain Formation in Mixed Lipid Bilayers . . . . . . . . . . . . . . . . . . . 199 Sai J. Ganesan, Hongcheng Xu, and Silvina Matysiak 12. Molecular Dynamics Simulations of Gram-Negative Bacterial Membranes . . . . . . . . . . . . 213 Syma Khalid, Graham Saunders, and Taylor Haynes Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 223

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