VinaScreen
An automated Python script for structure-based virtual screening with AutoDock Vina, handling batch ligand preparation, parallel docking, and result parsing for large compound libraries.
Nov 7, 2024
ArtemisiaDB
A curated database of secondary metabolites isolated from Artemisia L. species, providing chemical structures, molecular properties, and screening-ready compound libraries for virtual screening campaigns against therapeutic targets.
Feb 28, 2022