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Statistical Thermodynamics Through Computer Simulation to Characterize Phospholipid Interactions in Membranes

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Methods in Membrane Lipids

Part of the book series: Methods in Molecular Biology™ ((MIMB,volume 400))

Abstract

This chapter describes the major issues thDepartment of Physiat are involved in the statistical thermodynamics of phospholipid membranes at the atomic level. The ingredients going into models of lipid bilayers are summarized: force fields, representation of long-range interactions, and boundary conditions. Next, the choice of thermodynamic ensembles, and the two main options for the generation of a representative sample of configurations: molecular dynamics and Monte Carlo are discussed. The final issue that is dealt with describes the various ways the generated ensembles can be analyzed.

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Authors and Affiliations

  1. Department of Physiology and Biophysics, Mount Sinai School of Medicine, New York University, New York, NY, USA

    Mihaly Mezei

  2. Department of Colloid Chemistry, Eötvös Loránd University, Budapest, Hungary

    Pál Jedlovszky

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  1. Mihaly Mezei
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  2. Pál Jedlovszky
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  1. Department of Pharmacology, The University of Tennessee Health Science Center, Memphis, TN

    Alex M. Dopico

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Mezei, M., Jedlovszky, P. (2007). Statistical Thermodynamics Through Computer Simulation to Characterize Phospholipid Interactions in Membranes. In: Dopico, A.M. (eds) Methods in Membrane Lipids. Methods in Molecular Biology™, vol 400. Humana Press. https://doi.org/10.1007/978-1-59745-519-0_9

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  • DOI: https://doi.org/10.1007/978-1-59745-519-0_9

  • Publisher Name: Humana Press

  • Print ISBN: 978-1-58829-662-7

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