2 papers
cond-mat.stat-mech2005
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
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…