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High Performance Computing in Biophysics: Recent Experiences and Developments of Charmm

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New Horizons of Computational Science

Part of the book series: Astrophysics and Space Science Library ((ASSL,volume 263))

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Abstract

A short overview of the role of high performance computers in the field is presented with a particular emphasis on the methodological enhancements and performance of one of the most widely known biomolecular simulation codes, CHARMM. Also presented are recent performance results for CHARMM on a variety of hardware platforms including the NIH LoBoS system and the MD-GRAPE special purpose computer.

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Authors and Affiliations

  1. Laboratory of Biophysical Chemistry, National Heart, Blood and Lung Institute, National Institutes of Health, Bldg. 12A, Rm. 2041, Bethesda, MD, 20892-5626, USA

    E. M. Billings, T. E. Cheatham III & B. R. Brooks

  2. National Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia

    M. Hodošček

Authors
  1. M. Hodošček
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  2. E. M. Billings
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  3. T. E. Cheatham III
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  4. B. R. Brooks
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Editor information

Editors and Affiliations

  1. Institute of Physical and Chemical Research, Wako, Saitama-ken, Japan

    T. Ebisuzaki

  2. The University of Tokyo, Tokyo, Japan

    J. Makino

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© 2001 Springer Science+Business Media Dordrecht

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Hodošček, M., Billings, E.M., Cheatham, T.E., Brooks, B.R. (2001). High Performance Computing in Biophysics: Recent Experiences and Developments of Charmm. In: Ebisuzaki, T., Makino, J. (eds) New Horizons of Computational Science. Astrophysics and Space Science Library, vol 263. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0864-8_16

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  • DOI: https://doi.org/10.1007/978-94-010-0864-8_16

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-3848-5

  • Online ISBN: 978-94-010-0864-8

  • eBook Packages: Springer Book Archive

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