Monte Carlo structural optimization in discrete variables with annealing algorithm

Using internal and collective variables

Using internal and collective variables in Monte Carlo simulations of nucleic acid structures: Chain breakage/closure algorithm and associated Jacobians

✍ Heinz Sklenar; Daniel Wüstner; Remo Rohs 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 170 KB

## Abstract This article describes a method for solving the geometric closure problem for simplified models of nucleic acid structures by using the constant bond lengths approximation. The resulting chain breakage/closure equations, formulated in the space of variable torsion and bond angles, are e