32 citations · 52 across the 5 of their papers we have counts for
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cond-mat.stat-mech2012
Optimizations of protein force fields
Yoshitake Sakae, Yuko Okamoto
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 extensi…
cond-mat.stat-mech2005★ 15 cited
Secondary-Structure Design of Proteins by a Backbone Torsion Energy
Yoshitake Sakae, Yuko Okamoto
We propose a new backbone-torsion-energy term in the force field for protein systems. This torsion-energy term is represented by a double Fourier series in two variables, the backb…
cond-mat.stat-mech2003★ 32 cited
Optimization of protein force-field parameters with the Protein Data Bank
Yoshitake Sakae, Yuko Okamoto
We propose a novel method to optimize existing force-field parameters for protein systems. The method consists of minimizing the summation of the square of the force acting on each…