Table of Contents:
  • Quantum mechanical models for reactions in solution / J. Tomasi [and others]
  • Free energy perturbation calculations within quantum mechanical methodologies / R.V. Stanton, S.L. Dixon and K.M. Merz, Jr.
  • Hybrid potentials for molecular systems in the condensed phase / M.J. Field
  • Molecular mechanics and dynamics simulations of enzymes / R.H. Stote, A. Dejaegere, M. Karplus
  • Electrostatic interactions in proteins / K.A. Sharp
  • Electrostatic basis of enzyme catalysis / G. Náray-Szabó, M. Fuxreiter and A. Warshel
  • On the mechanisms of proteinases / A. Goldblum
  • Modelling of proton transfer reactions in enzymes / J. Åqvist
  • Protein-ligand interactions / T.P. Lybrand.