HIGHLIGHTS
- who: September et al. from the Federal University of Santa Catarina, Brazil have published the paper: Assessing the effect of force eld parameter sets on the accuracy of relative binding free energy calculations, in the Journal: (JOURNAL)
- what: The authors focus on the MUE of the compound binding affinities: the MUE between experimental and predicted binding affinity for all compounds. This work reports the predictive accuracy with 6 parameter sets in calculating RBFEs using FEP. The authors gratefully acknowledge the generous support to this project provided by the Tri-Institutional Therapeutics Discovery Institute (TDI), a . . .
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