Theoretical studies on the binding energy of β-sheet models
✍ Scribed by ChangLiang Sun; ChangSheng Wang
- Book ID
- 107348884
- Publisher
- SP Science China Press
- Year
- 2009
- Tongue
- English
- Weight
- 634 KB
- Volume
- 52
- Category
- Article
- ISSN
- 1674-7291
No coin nor oath required. For personal study only.
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## Abstract In this article, the binding energies of 16 antiparallel and parallel β‐sheet models are estimated using the analytic potential energy function we proposed recently and the results are compared with those obtained from MP2, AMBER99, OPLSAA/L, and CHARMM27 calculations. The comparisons i
## Abstract Equilibrium geometries and electronic structures of complexes between β-cyclodextrin (β-CD) and some small molecules as well as monosaccharides were investigated by Austin Model 1 (AM1) to obtain binding energy of the complexes. It was indicated that β-CD could bind the structurally sim