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How to Dock Multiple Ligands in AutoDock Vina (Batch Docking): A Step-by-Step Guide
14
Aug

Stop running Vina once per compound. Learn the –batch flag, the Open Babel prep loop, and how to pull 40 output files into one ranked table.

Posted in: Molecular Modeling ,
Tags: AutoDock Vina , Batch Docking , Drug Design , Molecular Docking , Open Babel ,
How to Convert Molecular File Formats with Open Babel (PDB to PDBQT, MOL2 and SDF): A Beginner’s Guide
25
Jul

Learn to convert PDB to PDBQT, MOL2, SDF and SMILES with Open Babel and get your docking files ready today.

Posted in: Molecular Modeling ,
Tags: AutoDock Vina , Computational Chemistry , Drug Design , File Formats , Molecular Docking , Open Babel ,