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An Empirical Potential Energy Function for Phospholipids: Criteria for Parameter Optimization and Applications

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Biological Membranes

Abstract

Lipid membranes are an essential component of all living cells. A molecular description of the structure and dynamics of such membranes from either experimental or theoretical approaches is still lacking. This is due in part to the two-dimensional fluid character of membranes (Singer and Nicolson, 1972), which makes difficult a detailed analysis by X-ray diffraction, neutron diffraction, or nuclear magnetic resonance. Detailed structural data of lipid molecules based on X-ray crystallography are available only for the nearly anhydrous crystalline state (Pascher et al, 1992; Small, 1986).

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Authors
  1. Michael Schlenkrich
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  2. Jürgen Brickmann
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  3. Alexander D. MacKerell Jr.
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  4. Martin Karplus
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Editor information

Editors and Affiliations

  1. Department of Chemistry, Pennsylvania State University, 152 Davey Laboratory, 16802, University Park, PA, USA

    Kenneth M. Merz Jr.

  2. Groupe de Recherche en Transport Membranaire (GRTM) Départements de physique et de chimie, Université de Montréal, C.P. 6128, succ. Centre-Ville, Montréal, Québec, Canada, H3C 3J7

    Benoît Roux

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© 1996 Birkhäuser Boston

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Schlenkrich, M., Brickmann, J., MacKerell, A.D., Karplus, M. (1996). An Empirical Potential Energy Function for Phospholipids: Criteria for Parameter Optimization and Applications. In: Merz, K.M., Roux, B. (eds) Biological Membranes. Birkhäuser Boston. https://doi.org/10.1007/978-1-4684-8580-6_2

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  • DOI: https://doi.org/10.1007/978-1-4684-8580-6_2

  • Publisher Name: Birkhäuser Boston

  • Print ISBN: 978-1-4684-8582-0

  • Online ISBN: 978-1-4684-8580-6

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