Calculation of interaction energies in host-guest systems
- 1 January 1986
- book chapter
- Published by Springer Nature
Abstract
No abstract availableThis publication has 101 references indexed in Scilit:
- Ab initio molecular orbital study of the interaction of Li+, Na+ and K+ with the pore components of ion channels: Consideration of the size, structure and selectivity of the pore of the channelsJournal of Theoretical Biology, 1984
- The gramicidin A channel: comparison of the energy profiles of Na+, K+ and Cs+FEBS Letters, 1984
- The gramicidin A channelFEBS Letters, 1984
- The gramicidin A channel: the energy profile for single and double occupancy in a head‐to‐head β6.33,3‐helical dimer backboneFEBS Letters, 1983
- The interaction of γ-aminobutiric acid with hydrated Ca2+ and Mg2+. A pseudopotential ab initio studyJournal of Theoretical Biology, 1983
- Structure of aggregates of water and Li+, Na+, or K+ counterions with nucleic acid in solutionJournal of Biological Physics, 1983
- Quantum-mechanical studies of environmental effects on biomolecules VI.Ab initio Studies on the hydration scheme of the phosphate groupTheoretical Chemistry Accounts, 1975
- The effect of cation binding on the rotation barrier of the peptide bondFEBS Letters, 1974
- SCF ab initio molecular orbital study on the relative affinities of peptide and ester carbonyl groups for Na+ and K+ ionsFEBS Letters, 1973
- SCF LCAO MO studies on the hydration of ions: The system F− · 2H2OTheoretical Chemistry Accounts, 1972