Group Members

Tracy (Yidan) Tang

Current Graduate Student

BS in Chemistry and Computer Science, Gettysburg College, USA
yidan.tang [ at ] vanderbilt.edu
Vanderbilt University - MBRIII 5140 Office Suite

Research Interests:

• Small molecule drug design
• Computer-aided drug design
• Medicinal Chemistry
• Organic Chemistry
• Organometallics

Co-mentored by Dr. Mike Stone

Project Description:

 

Computer-aided drug design (CADD) is a field where computational approaches are used to screen chemical libraries searching for drug molecules and assembling drug targets that perform specific biological activities. Designing drug-like molecules in silico has been the focus of many programs but few have proven effective due to factors like docking accuracy and compound availability. Rosetta provides powerful tools for modeling protein and protein-small molecule interactions. I aim to implement a ligand design protocol in Rosetta and utilize reaction databases provided by Enamine Ltd. I hope to develop an approach where computers can be used to screen and narrow the chemical space for the efficient identification potential drug molecules, assist synthetic chemists by searching for commercially available synthetic routes, and ultimately accelerate the drug discovery process.