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Automated, Accurate, and Scalable Relative Protein–Ligand B..:

Raman, E. Prabhu ; Paul, Thomas J. ; Hayes, Ryan L..
Journal of Chemical Theory and Computation.  16 (2020)  12 - p. 7895-7914 , 2020
Link: https://doi.org/10.1021/acs.jctc.0c00830