Towards a quantum-chemical representation of enzyme activity. A scrf pce cndo/2 study of the ladh proton relay system
- 1 June 1980
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 72 (2) , 334-341
- https://doi.org/10.1016/0009-2614(80)80303-4
Abstract
No abstract availableThis publication has 19 references indexed in Scilit:
- Environmental effects on H-bond potentials: A SCRF MO CNDO/2 study of some model systemsJournal of Theoretical Biology, 1978
- Medium polarization effect on proton potential shape S.A SCRF-MO CNDO2 study of methanol and methanethiol H-bonded to imidazolBiochemical and Biophysical Research Communications, 1978
- Some remarks on the SCRF theory of solvent effects and the calculation of proton potentialsTheoretical Chemistry Accounts, 1978
- Environmental effects on hydrogen bonded systems: A quantum chemical study of proton relay model systemsInternational Journal of Quantum Chemistry, 1977
- Electrostatic potentials of proteins. 2. Role of electrostatics in a possible catalytic mechanism for carboxypeptidase AJournal of the American Chemical Society, 1976
- Three-dimensional structure of horse liver alcohol dehydrogenase at 2.4 Å resolutionJournal of Molecular Biology, 1976
- Self-consistent reaction field theory of solvent effectsMolecular Physics, 1975
- Hydrogen bond. Environmental effects on proton potential curves. An SCRF MO CNDO/2 calculation of a water dimerChemical Physics Letters, 1975
- The structure of horse liver alcohol dehydrogenaseFEBS Letters, 1974
- An estimate of intraproteic electrostatic fields values originated by the peptide groups in α-ChymotrypsinBiochemical and Biophysical Research Communications, 1972