Fig. 6: Roadmap and results for the All-at-Once strategy applied for finding effective FQ molecules in a screening database. | npj Drug Discovery

Fig. 6: Roadmap and results for the All-at-Once strategy applied for finding effective FQ molecules in a screening database.

From: AI-guided competitive docking for virtual screening and compound efficacy prediction

Fig. 6

A Roadmap of the virtual screening performed on a library of 3155 compounds, including 46 FQs. B Percentage of FQs identified at different levels of the top-ranked compound list. Protein visualizations were generated using PyMOL (The PyMOL Molecular Graphics System, Version 3.0, Schrödinger, LLC).

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