The solvent effect on the NMR chemical shielding in liquid water is calculated from a combination of molecular dynamics simulations and quantum chemical calculations for protons and 1 7 0 . The simulations are performed with three different potentials, ab initio as well as empirical ones, to study t
Structural analysis and the effect of cyclo(His–Pro) dipeptide on neurotoxins—a dynamics and density functional theory study
✍ Scribed by Angamuthu Abiram; Ponmalai Kolandaivel
- Publisher
- Springer-Verlag
- Year
- 2009
- Tongue
- English
- Weight
- 390 KB
- Volume
- 16
- Category
- Article
- ISSN
- 1610-2940
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