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Optimizations of protein force fields

Author: Yoshitake Sakae, Yuko Okamoto
Url: http://arxiv.org/abs/1208.6150
Format: Ps, Pdf
Year: 2012
Category: Biological Physics
Pages: 56
Clicks: 357

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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