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Journal of Chemical Theory and Computation|December 3, 2015
Alchemical Variations of Intermolecular Energies According to Molecular Grand-Canonical Ensemble Density Functional TheoryO Anatole von Lilienfeld, M E Tuckerman
Physical Review Letters|November 5, 2004
Long time molecular dynamics for enhanced conformational sampling in biomolecular systemsP Minary, M E Tuckerman, G J Martyna
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