  The main idea of this work is that the quantum-classical isomorphism is a
suitable framework for a generalization of the notion of detailed balance. The
quantum-classical isomorphism is used in order to develop a Monte Carlo
simulation with controlled deviation from detailed balance, that is with a
generalized detailed balance and known relative entropy with respect to the
reference process at each point. In order to apply this method to molecular
simulations a new algorithm for realization of a partial chirotope, based on
linear programming, a new distance geometry algorithm and a new all-atom
off-lattice Monte Carlo method are proposed.
