Optimizations of Protein Force Fields

  • Yoshitake Sakae
  • Yuko Okamoto
Part of the Springer Series in Bio-/Neuroinformatics book series (SSBN, volume 1)


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.


Monte Carlo Protein Data Bank Total Potential Energy Kind Permission Double Fourier Series 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer-Verlag Berlin Heidelberg 2014

Authors and Affiliations

  • Yoshitake Sakae
    • 1
    • 2
  • Yuko Okamoto
    • 2
    • 3
    • 4
    • 5
  1. 1.Department of Theoretical and Computational Molecular ScienceInstitute for Molecular ScienceOkazakiJapan
  2. 2.Department of Physics, Graduate School of ScienceNagoya UniversityNagoyaJapan
  3. 3.Structural Biology Research Center, Graduate School of ScienceNagoya UniversityNagoyaJapan
  4. 4.Center for Computational Science, Graduate School of EngineeringNagoya UniversityNagoyaJapan
  5. 5.Information Technology CenterNagoya UniversityNagoyaJapan

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