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The third leg: Molecular dynamics simulations of lipid binding proteins

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Lipid Binding Proteins within Molecular and Cellular Biochemistry

Part of the book series: Molecular and Cellular Biochemistry ((DMCB,volume 29))

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Abstract

Molecular dynamics computer simulations can provide a third leg which balances the contributions of both structural biology and binding studies performed on the lipid binding protein family. In this context, these calculations help to establish a dialogue between all three communities, by relating experimental observables with details of structure. Working towards this connection is important, since experience has shown the difficulty of inferring thermodynamic properties from a single static conformation. The challenge is exemplified by ongoing attempts to interpret the impact of mutagenesis on structure and function (i.e. binding). A detailed atomic-level understanding of this system could be achieved with the support of all three legs, paving the way towards rational design of proteins with novel specificities. This paper provides an outline of the connections possible between experiment and theory concerning lipid binding proteins. (Mol Cell Biochem 192: 143–156, 1999)

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Authors and Affiliations

  1. Department of Physiology, Johns Hopkins University, Baltimore, MD, USA

    Thomas B. Woolf & Michael Tychko

Authors
  1. Thomas B. Woolf
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  2. Michael Tychko
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Editors and Affiliations

  1. Department of Biochemistry, University of Minnesota, Minneapolis, MN, USA

    Leonard Banaszak

  2. Department of Biochemistry, University of Minnesota, St Paul, MN, USA

    David A. Bernlohr

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© 1999 Springer Science+Business Media Dordrecht

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Woolf, T.B., Tychko, M. (1999). The third leg: Molecular dynamics simulations of lipid binding proteins. In: Banaszak, L., Bernlohr, D.A. (eds) Lipid Binding Proteins within Molecular and Cellular Biochemistry. Molecular and Cellular Biochemistry, vol 29. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4929-1_17

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  • DOI: https://doi.org/10.1007/978-1-4615-4929-1_17

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-7236-3

  • Online ISBN: 978-1-4615-4929-1

  • eBook Packages: Springer Book Archive

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