Computational Biomolecular Design using the Integral Equation Theory of Molecular Liquids: from Drug Discovery to Bionanotechnology

Activity: Talk or presentation typesInvited talk


Invited lecture in the Department of Chemistry at the University of St Andrews
Period27 Apr 2015
Held atUniversity of St Andrews, United Kingdom


  • integral equation theory of molecular liquids
  • computational chemistry
  • reference interaction site model
  • solvation
  • molecular simulation
  • solubility
  • protein-ligand binding