Theoretical chemistry studies on the catalytic mechanism of liver alcohol dehydrogenase

This publication has 12 references indexed in Scilit:

• Transition structure for hydride transfer to pyridinium cation from methanolate. Modeling of LADH catalyzed reaction
  Journal of the American Chemical Society, 1988
• On the Molecular Mechanism of Liver Alcohol Dehydrogenase: Monte Carlo Simulations and X-Ray Studies of Water in the Substrate Channel
  Enzyme, 1986
• Electronic aspects of the hydride transfer mechanism. A b i n i t i o analytical gradient studies of the cyclopropenyl-cation/lithium hydride model reactant system
  The Journal of Chemical Physics, 1985
• CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
  Journal of Computational Chemistry, 1983
• The quantum chemical calculation of environmental effects: A comparative study of charge separation in water dimers
  Journal of Molecular Structure: THEOCHEM, 1982
• An inhomogeneous self-consistent reaction field theory of protein core effects. Towards a quantum scheme for describing enzyme reactions
  The Journal of Chemical Physics, 1981
• Towards a quantum-chemical representation of enzyme activity. A scrf pce cndo/2 study of the ladh proton relay system
  Chemical Physics Letters, 1980
• Environmental effects on H-bond potentials: A SCRF MO CNDO/2 study of some model systems
  Journal of Theoretical Biology, 1978
• Hydrogen bond. Environmental effects on proton potential curves. An SCRF MO CNDO/2 calculation of a water dimer
  Chemical Physics Letters, 1975
• Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms
  The Journal of Chemical Physics, 1970