Group Members

Shannon Smith

Current Graduate Student

BSin Science, Ohio State University, USA
shannon.t.smith.1 [ at ] vanderbilt.edu
Vanderbilt University - MBRIII 5140 Office Suite

Research Interests:

• Structure-based small molecule drug discovery
• Algorithms to improve protein-ligand binding interactions
• GPCR drug discovery

I am interested in improving computational methods to calculate a small molecule’s binding affinity to a protein of interest as a means to expedite early stages of drug discovery. Current projects are focused on improving affinity calculations by utilizing extensive structural sampling and scoring predictions within Rosetta and small-molecule information provided by the BCL. Working alongside experimental collaborators at Vanderbilt, I use these computational predictions to aid in GPCR drug discovery.