Chem 204/Bio205 Freshman Research Initiative: Virtual Drug Screening Stream
Faculty advisor: Dr. Jon Robertus, Welch Hall 5.206
Research Educator: Dr. Katherine Kavanagh, Welch Hall 5.276
This research stream is focused on the use of computers to screen protein drug targets for small molecule ligands that may act as inhibitors and drug design leads. The stream will use several computer programs in training students toward this end.
The molecular graphics display program, PyMol, is the main program you will neeed to train on and practice with. Below are links to three Lab exercise protocols with PyMol. You can download them as pdf files.
Below are a number of files that are required for the laboratory exercises with PyMol.
Down load the Ahelix.pdb file from here.
Down load the DHFR-hs.pdb file from here.
Down load the dhfr-lc.pdb file from here.
Down load the TRR-k2.pdb file from here.