Results of the MM/PBSA and MM/GBSA Calculations.
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Energies listed include the entropy calculated through normal mode analysis. More negative values indicate stronger binding. Energies are in kcal/mol at a temperature of 300 K. All computed energies are expressed as mean ± standard error.* Experimental energies from Buey et al. [63] are given for comparison.† N/D: no data.Results of the MM/PBSA and MM/GBSA Calculations.
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2015-12-03
