Analog Design Module of NF-kBIn
This module is designed specifically for the users who want to develop analogs of their lead molecule. A user needs to input a scaffold structure along with the building blocks and linker molecules. Using the submitted information, the web server uses the SmiLib package at the backend and links the building blocks (fragments) to the scaffold using linker to generate all the possible analogs. Each analog designed is further predicted as TNF alpha induced NF-kB inhibitor and non-inhibitors, and the results are displayed in tabular form. Please visit Help page, for more information.