Category Archives: Elective courses

CADD (extra-optional) assignment on drug modification



Each (one) student (no groups)

 Have to Choose any drug that works on a well-known receptor and perform the BIO-ISOSTERISM rules -you studied-to produce a new drug with binding affinity more than the original drug.

-Use chemsketch to modify your drug 

-Use PyRx to compare the binding affinities of both drugs

You have to submit all the data screenshots 

Important note: Any similarity between two assignments will cancel both of them