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Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes pp 195–247Cite as

Optimizations of Protein Force Fields

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Part of the book series: Springer Series in Bio-/Neuroinformatics ((SSBN,volume 1))

Abstract

In this chapter we review our works on force fields for molecular simulations of protein systems.We first discuss the functional forms of the force fields and present some extensions of the conventional ones.We then present various methods for force-field parameter optimizations. Finally, some examples of our applications of these parameter optimization methods are given and they are compared with the results from the existing force fields.

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Author information

Authors and Affiliations

  1. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki, Aichi, 444-8585, Japan

    Yoshitake Sakae

  2. Department of Physics, Graduate School of Science, Nagoya University, Nagoya, Aichi, 464-8602, Japan

    Yoshitake Sakae & Yuko Okamoto

  3. Structural Biology Research Center, Graduate School of Science, Nagoya University, Nagoya, Aichi, 464-8602, Japan

    Yuko Okamoto

  4. Center for Computational Science, Graduate School of Engineering, Nagoya University, Nagoya, Aichi, 464-8603, Japan

    Yuko Okamoto

  5. Information Technology Center, Nagoya University, Nagoya, Aichi, 464-8601, Japan

    Yuko Okamoto

Authors
  1. Yoshitake Sakae
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  2. Yuko Okamoto
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Editors and Affiliations

  1. , Faculty of Chemistry, University of Gdansk, Sobieskiego 18, Gdansk, 80-952, Poland

    Adam Liwo

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Sakae, Y., Okamoto, Y. (2014). Optimizations of Protein Force Fields. In: Liwo, A. (eds) Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes. Springer Series in Bio-/Neuroinformatics, vol 1. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-28554-7_7

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  • DOI: https://doi.org/10.1007/978-3-642-28554-7_7

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-28553-0

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