Theoretical studies of pKa'S for organic compounds in aqueous solution
- 22 June 1990
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 169 (6), 513-518
- https://doi.org/10.1016/0009-2614(90)85640-x
Abstract
No abstract availableThis publication has 24 references indexed in Scilit:
- Ab initio calculation of Broensted aciditiesJournal of the American Chemical Society, 1988
- Thermodynamic cycle integration by computer simulation as a tool for obtaining free energy differences in molecular chemistryJournal of Computer-Aided Molecular Design, 1987
- Calculation of the Relative Change in Binding Free Energy of a Protein-Inhibitor ComplexScience, 1987
- Free Energy SimulationsaAnnals of the New York Academy of Sciences, 1986
- Ionization potentials and electron affinities in aqueous solutionJournal of the American Chemical Society, 1986
- Dynamics and design of enzymes and inhibitorsJournal of the American Chemical Society, 1986
- Ligand-receptor interactionsComputers & Chemistry, 1984
- Substituent and solvation effects on gas-phase aciditiesJournal of the American Chemical Society, 1979
- The Structure of PapainAdvances in protein chemistry, 1971
- The Three-Dimensional Structure of an Enzyme MoleculeScientific American, 1966