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. Author manuscript; available in PMC: 2021 Feb 15.
Published in final edited form as: J Chem Theory Comput. 2020 Oct 23;16(11):7173–7183. doi: 10.1021/acs.jctc.0c00798

Table 1:

The coefficients in the simplified and precise scoring functions

coefficients clj ce ch csa cpol cselfR cselfL cvdwL
simplified 3.30 1.32 0.10 0.30 0.36 0.58 0.66
precise 3.30 1.32 0.10 1.26 1.38 4.98 2.78 0.66