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Karrar Al‐Ameed

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#protein folding Dataset Open access Oct 2026

Reproducibility archive for "Are scaffold placement and warhead placement the same achievement? Ligand RMSD and covalent geometry are independent axes in co-folding predictions"

Data and code for a cutoff-controlled benchmark of 26 cysteine-targeted covalent protein–ligand complexes, all X-ray structures at 1.1–1.82 Å released after the Chai-1 training cutoff of 30 September 2021. Three predictors are scored on identical inputs: co-folding (Chai-1 v0.6.1), blind docking (smina, Vina scoring) a...

Karrar Al‐Ameed · 0 citations
#protein folding Dataset Open access Oct 2026

Data and software for: Does AlphaFold 3 Replace Protein–Protein Docking? A Blind Benchmark Against Fast-Fourier-Transform Docking and an Appraisal of Interface Confidence

Complete data and software accompanying a benchmark of template-free AlphaFold 3 co-folding against blind, clustering-reranked fast-Fourier-transform docking on 20 protein–protein complexes from Docking Benchmark 5, spanning the rigid-body, medium and difficult tiers and three interface classes, together with negative...

Karrar Al‐Ameed · 0 citations

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