1. Introduction
In this tutorial, the standard protocol of MolAICal (https://doi.org/10.1093/bib/bbaa161) is introduced for the drug design of glucagon receptor (GCGR) by artificial intelligence and de novo method. It will help the pharmacologist, chemists and other scientists design rational drugs according to three-dimensional active pocket of proteins.
2. Materials
2.1. Software requirement
1) MolAICal: https://molaical.github.io
2) UCSF Chimera: https://www.cgl.ucsf.edu/chimera/
2.2. Protocol files
All the necessary tutorial files are downloaded from:
https://github.com/MolAICal/tutorials/tree/master/001-AIGrow
For more detailed procedures, please go to https://molaical.github.io, and click the section named "Tutorials" in the left part of webpage. Once "Tutorials" open, you can freely find pdf file about this tutorial (see Figure 1):
You can repeat this tutorial according to the content of pdf file.
