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Articles

Pengyu Ren, Ph.D.

Research Focus

Our lab's research is focused on molecular modeling of biological systems for pharmaceutical and biomedical applications. Computational biology and molecular modeling that integrate our knowledge in computer science, chemistry, physics and biology allow us to understand the fundamental molecular driving forces in chemistry and biology, such as molecular recognition and protein structure-function relationship. With accurate in silico prediction of molecular interactions, we seek to engineer novel molecules, from small organic molecules to protein mimetics, with controlled structure and function for therapeutic and diagnostic purposes.

Research Interests

  • Computational drug discovery.
  • Multiscale physical modeling of proteins and nucleic acids.
  • Structure and function of protein-mimetics and biomaterials.

Selected Publications