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. 2021 Jul 16;11(7):1048. doi: 10.3390/biom11071048

Table 1.

Docking scores (i.e., the approximate binding energy estimated by the docking scoring function, kcal/mol units) for PD and RESV top-ranked docked poses.

PD RESV
Spike RBD −6.9 −6.5
Spike A/B interface −7.3 >−6.5
Spike A/C interface −7.3 >−6.5
ACE2 −8.4 −6.9
S:ACE2 region I −8.1 −7.6
S:ACE2 region II −6.9 −6.5