F. Sindt

Ultra-large virtual screening hit (ULVSH) dataset featured image

Ultra-large virtual screening hit (ULVSH) dataset

Input files (protein, active site, docking poses) of the ULVSH dataset. Two directories (raw, minimized) for raw and minimized docking poses From Sindt and al. Journal of Chemical …

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Quality Check

Scripts to analyse the quality of docking poses From Sindt and al. J. Chem. Inf. Model. 2025, 65, 11, 5553–5566

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SpaceDock

SpaceDock is a straightforward and rapid computational approach designed to screen virtually 'ultra-large' synthetically accessible chemical libraries. It first requires docking …

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