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Dr Paul Cox

Principal Lecturer



Research Activity


My work focuses on the application of molecular modelling methods to a wide range of chenical and biological areas.  I am the director of the University's Centre for Molecular Design (CMD).  We work closely with both both internal and external research groups to provide modelling work in support of experimental studies.  The CMD is also an important part of the University's Centre for Enzyme Innovation.


Key Research Topics

1.  Catalysis

     We use computer simulations to help solve the structure of complex catalytic materials.  Notable examples of success include our work on NU-87 and STA-20.  Computational methods have also been used to look at the relationshiip between different zeolite structures and the SDAs (Strudture Directing Agents) that have been used in their synthesis.  By improving our fundamental understanding of this relationship we have been successful in designing new SDAs for new targets.


2.  Microporous Materials and Drug Delivery


3.  Structure docking



Research Interests

  • Molecular modelling
  • Quantum mechanics
  • Solid-State chemistry

ID: 18786