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Computational Biochemistry

A Virginia Tech biochemistry graduate students sits in front of a computer with protein simulations displayed.

Computational biochemistry employs computer algorithms to investigate challenging biological systems for which performing bench experiments may be impractical or impossible. Computational biochemistry leverages high-performance computing, coding, and analysis of large datasets to solve emerging problems in biochemistry.

Areas of interest

  • Molecular dynamics of biomolecules
  • Macromolecular structure prediction
  • Computer-aided drug design
  • Bioinformatics

Faculty