https://www.selleckchem.com/pr....oducts/forskolin.htm
Classical molecular dynamics simulations have been combined with quantum calculations of CD spectra in order to fruitfully relate the experimental CD spectra, not only to the overall conformation of chiral α-peptoids, but also to their structure at the atomic scale, including the dihedral feature of the backbone (ψ,φ) and the orientation of the chiral side-chain (χ1). These simulations have been performed up to the hexamer Ac-(stbe)6-CO2tBu. We have shown that the number of states has a significant impact on the shape of the spectrum
Beğen
Yorum Yap
Paylaş
