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J. Alam

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Open access Sep 2026

An extension of jamdock-suite for virtual screening from raw chemical datasets

Semdock is presented, an extension of the original workflow that enables the preparation of docking-ready ligands from raw SDF, SMILES, and CSV datasets through an automated ligand preparation procedure and implements ligand-wise CPU-parallel docking.

Shahariar Emon, M. Haque, Iftekhar Alam et al. · 0 citations

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