Group Members


Benjamin Brown

Current Graduate Student

BS Neuroscience and Chemistry (ACS), Baldwin Wallace University, USA
benjamin.p.brown [ at ]
Vanderbilt University - MBRIII 5140 Office Suite

Research Interests:

  • cheminformatics
  • computer-aided drug design
  • de novo drug design
  • machine learning and artificial neural networks
  • molecular modeling/simulation
  • precision medicine
  • personalized structural biology
  • protein tyrosine kinases
  • discoidin domain receptor 1 (DDR1) kinase
  • epidermal growth factor receptor (EGFR) kinase

Broadly, I am interested in working at the interface between computational and experimental methods in structural biology and drug discovery to advance precision medicine. Currently, I am developing novel methods to combine ligand- and structure-based methods in computer-aided drug discovery (CADD), as well as coding new algorithms for the automated design of synthetically feasible drug-like molecules. To achieve these goals, I combine elements of cheminformatics, machine learning, and protein modeling utilizing two software suites actively maintained and developed by the Meiler Lab, the Biology and Chemistry Library (BCL) and Rosetta. Further, I am engaged in modeling the effects of specific patient mutations on protein stability and drug-responsiveness using a combination of Rosetta and molecular dynamics (MD) simulations.


Publication Link:

  • Research Projects
  • Publications