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.
Cite
@article{arxiv.1208.6150,
title = {Optimizations of protein force fields},
author = {Yoshitake Sakae and Yuko Okamoto},
journal= {arXiv preprint arXiv:1208.6150},
year = {2012}
}
Comments
56 pages, (Springer Verlag global LaTeX2e support for multi authored books), 28 figures, 13 tables