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Molecular Dynamics Simulations of Proteins and Protein-Protein Complexes

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Computer Simulation Studies in Condensed Matter Physics II

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 45))

Abstract

Advances in supercomputer technology have allowed problems involving the structure and energetics of biologically relevent macromolecules (proteins and nucleic acids) to be studied using computational methods such as molecular mechanics and molecular dynamics. In this paper, a major type of biological macromolecules, proteins, is briefly described and the empirical force fields which are used to study them at the atomic level are discussed. Results are summarized which show that supercomputer versions of molecular mechanics/dynamics programs can allow effective modeling of large proteins and protein complexes, useful prediction of protein structures based on existing structure data bases, and considerable insight into the nature of the interaction of proteins on the picosecond time scale.

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Authors and Affiliations

  1. School of Chemical Sciences and Advanced Computational Methods Center, University of Georgia, Athens, GA, 30602, USA

    J. E. Wampler, D. E. Stewart & S. L. Gallion

Authors
  1. J. E. Wampler
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  2. D. E. Stewart
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  3. S. L. Gallion
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Editor information

Editors and Affiliations

  1. Center for Simulational Physics, The University of Georgia, 30602, Athens, GA, USA

    David P. Landau Ph. D. , K. K. Mon Ph. D.  & Heinz-Bernd Schüttler Ph. D. ,  & 

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© 1990 Springer-Verlag Berlin Heidelberg

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Wampler, J.E., Stewart, D.E., Gallion, S.L. (1990). Molecular Dynamics Simulations of Proteins and Protein-Protein Complexes. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed Matter Physics II. Springer Proceedings in Physics, vol 45. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-75234-6_8

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  • DOI: https://doi.org/10.1007/978-3-642-75234-6_8

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-75236-0

  • Online ISBN: 978-3-642-75234-6

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