Optimization of Cutting Schemes for the Evaluation of Molecular Electrostatic Potentials in Proteins via Moving-Domain QM/MM

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  1. Optimization of Cutting Schemes for the Evaluation of Molecular Electrostatic Potentials in Proteins via Moving-Domain QM/MM
    Menikarachchi, L. C.; Gascón, J. A. J. Mol. Model. (2008) 14, 1-9. [DOI]