Butsuri
Online ISSN : 2423-8872
Print ISSN : 0029-0181
ISSN-L : 0029-0181
Force Field Functions for Molecular Simulations of Protein Systems(Current Topics)
Yoshitake SakaeTakao YodaYuji SugitaYuko Okamoto
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2012 Volume 67 Issue 5 Pages 343-349

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Abstract

Computational physics study of protein systems is done by molecular simulations based on Monte Carlo and molecular dynamics methods. In order to perform such computer simulations, one has to specify a potential energy (or, force field) of the system. The force field functions that have been developed by research groups in the U.S.A. and Europe for many years are commonly used. In this article, we discuss the validity of these force fields and introduce a method for developing a new force field with high accuracy.

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© 2012 The Physical Society of Japan
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