| Monte Carlo simulation is commonly used to compute pathways
and thermodynamic properties of proteins. A simulation run is a series
of random steps in conformation space, each perturbing slightly some degrees
of freedom of the molecule. An attempted perturbation is accepted with
a probability that depends on the resulting change in the molecule's energy.
This work investigates general algorithmic
techniques to accelerate Monte Carlo simulation by speeding up the update
of the energy function during simulation, without changing the step generator
or the outcome of the acceptance test. It also investigates applications
of these techniques, for example, to quickly generate compact conformations.
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