Step II: Ligand Preparation for Molecular Docking | AutoDock Vina Comprehensive Tutorial

Discover the secrets of Ligand Preparation in this Step II tutorial of our Molecular Docking with AutoDock Vina series. In this video, we provide a detailed walkthrough of the process, covering essential steps such as converting file formats, optimizing ligand geometry, and assigning partial charges. Ideal for researchers at all levels, this comprehensive tutorial will help you master the crucial aspects of ligand preparation for successful molecular docking studies. Subscribe for more expert tutorials and insights in the field of pharmaceutical research!
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[@DiyaAira]

Is there any free software for optimization of ligand sir

[@ganeshwaghule12]

Yes, you can use MGLTools, PyRx

[@payelsarkar5732]

In my case arsenic trioxide is the ligand which I have downloaded from Drugbank. In conversion process the ligand could not get kollman or gastric charges. In time of run autodock vina error is showing in ligand file reading..... Please answer