How do I define ligand names for virtual screening?

Browse QuestionsCategory: QuestionsHow do I define ligand names for virtual screening?
Bioinformatics Review Reader Staff asked 3 weeks ago

Hi,

I want to perform a virtual screening of 45 compounds.

In normal docking of one compound, we define name in the configuration file but how can I write names of these 45 compounds in the same configuration file?

Thanks in advance!

1 Answers
Muniba Faiza Staff answered 3 weeks ago

The ligand names for virtual screening are defined in a separate file, for example, ligands.txt.
No ligand name is defined within the configuration file of virtual screening.
Follow this tutorial: https://bioinformaticsreview.com/20200410/how-to-perform-virtual-screening-using-autodock-vina/

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