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. Author manuscript; available in PMC: 2022 Dec 19.
Published in final edited form as: Nature. 2021 Dec 15;601(7893):452–459. doi: 10.1038/s41586-021-04220-9

Extended Data Figure 1. Evaluation of SYNTHES performance on CB2 receptor with only docking score (without considering docking pose of MEL candidates in the binding pocket).

Extended Data Figure 1.

(a) The number of hits at each score threshold from V-SYNTHES and standard VLS (b) Enrichment in V-SYNTHES vs. Standard VLS at different score thresholds, with the red x-mark showing threshold that yields 100 V-SYNTHES hits in the 2-component library.