A Road Map for the Calculation of Molecular Binding Energies
β Scribed by Dunning, Thom H.
- Book ID
- 119937954
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 370 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
We describe a methodology to calculate the relative free energies of protein-peptide complex formation. The interaction energy was decomposed into nonpolar, electrostatic and entropic contributions. A free energy-surface area relationship served to calculate the nonpolar free energy term. The electr
## Abstract The nature of the interaction between nucleic acids and divalent ions in solution is complex. It includes longβrange electrostatic and shortβrange nonelectrostatic forces. Water molecules can be in an inner coordination shell that intervenes between the ion and its binding site. This wo