Ab initio molecular orbital study on the effects of zinc ion, its ligands and ionic amino acid residues for proton transfer energetics between glu 270 and Zn co-ordinated water molecule in carboxypeptidase A

This publication has 34 references indexed in Scilit:

• Anab initio theoretical study of the binding of ZnII with biologically significant ligands: CO2, H2O, OH−, imidazole, and imidazolate
  Theoretical Chemistry Accounts, 1978
• Theoretical study of binding and proton-labilizing properties of zinc(2+) ion
  Journal of the American Chemical Society, 1977
• Structure and function of carbonic anhydrases
  FEBS Letters, 1977
• Electrostatic potentials of proteins. 2. Role of electrostatics in a possible catalytic mechanism for carboxypeptidase A
  Journal of the American Chemical Society, 1976
• A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation
  International Journal of Quantum Chemistry, 1976
• The refined crystal structure of bovine β-trypsin at 1·8 Å resolution
  Journal of Molecular Biology, 1975
• Relationship of the three dimensional structure of carboxypeptidase A to catalysis
  Tetrahedron, 1974
• Carboxypeptidase A. Mechanistic analysis
  Accounts of Chemical Research, 1972
• Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
  The Journal of Chemical Physics, 1971
• Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals
  The Journal of Chemical Physics, 1969