Computational enzymology
- 30 November 1997
- Vol. 79 (11) , 687-689
- https://doi.org/10.1016/s0300-9084(97)83525-0
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Simulation of the Enzyme Reaction Mechanism of Malate DehydrogenaseBiochemistry, 1997
- Energetics of nucleophile activation in a protein tyrosine phosphataseJournal of Molecular Biology, 1997
- Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formationThe Journal of Chemical Physics, 1997
- Semiempirical molecular orbital calculations with linear system size scalingThe Journal of Chemical Physics, 1996
- Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerationsInternational Journal of Quantum Chemistry, 1996
- Mechanism and transition state structure for papain catalysed amide hydrolysis, using a hybrid QM/MM potentialChemical Communications, 1996
- Proton and Hydride Transfers in Solution: Hybrid QM/MM Free Energy Perturbation StudyThe Journal of Physical Chemistry, 1996
- Theory of enzyme mechanismsCurrent Opinion in Structural Biology, 1992
- pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic modelBiochemistry, 1990
- A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulationsJournal of Computational Chemistry, 1990