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Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character

Chris Oostenbrink, Wilfred F. van Gunsteren. Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character. Journal of Computational Chemistry, 24(14):1730-1739, 2003. [doi]

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