Table of Contents:
  • Advances in density-functional-based modeling techniques
  • recent extensions of the Car-Parrinello approach /Daniel Sebastiani,
  • Density-functional theory applications in computational medicinal chemistry /Ursula Rothlisberger
  • Applications of Car-Parrinello molecular dynamics in biochemistry
  • binding of ligands in myoglobin /Andrea Cavalli .. [et al.]
  • Density-functional theory in drug design
  • the chemistry of the anti-tumor drug cisplatin and phototactive psoralen compounds /Carme Rovira