Proteome-Wide Reverse Target Screening with Structural Cross-Validation
Graphical abstract
Summary
An small molecule is used for pocket-representation retrieval, followed by structure preparation, batch docking, distribution review and functional enrichment. The graphical abstract brings together candidate distributions, structural review and property comparisons across the screening funnel. The results establish a clear candidate hierarchy for experimental selection and subsequent lead optimisation. The result-focused presentation supports efficient review of the main evidence and research priorities.
Computational results
Results
This figure presents the principal structures and trends in “Results” and connects them to the case-level ranking and result interpretation.
This figure presents the principal structures and trends in “Results” and connects them to the case-level ranking and result interpretation.
Full case PDF
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