Group Members

Benjamin Brown

Current Graduate Student

BS Neuroscience and Chemistry (ACS), Baldwin Wallace University, USA
benjamin.p.brown [ at ] vanderbilt.edu
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:

https://scholar.google.com/citations?user=8Kg6uBMAAAAJ&hl=en