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Design 1 - in_vitro_vina_screening_isolated_spike

Description

Screening over 300,000 in-vitro molecules for best (lowest) predicted VINA results for the isolated spike protein. The candidate set here is the "in-vitro" set from the ZINC database: https://zinc15.docking.org/substances/subsets/in-vitro/

Design configuration

Candidate configuration

Candidate screening