Shared flowchart

Chemistry · L5 · Computational Docking & Drug Design · flowchart

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by @openstemUpdated Chemistry
Virtual compound library: millions of moleculesApply fast drug-likeness/pharmacophore filtersReduced candidate set: thousands to low millionsDock each candidate: search plus fast scoring functionRank candidates by docking scoreSelect top-ranked hits: hundreds to low thousandsExperimental assay confirms true bindersConfirmed hits enter lead optimization

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