How do I define ligand names for virtual screening?
Bioinformatics Review Reader asked 3 years 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
Dr. Muniba Faiza Staff answered 3 years 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/
