DFT výpočty byly rozšířeny pro vysvětlení příspěvku různých druhů peptidových ohybových struktur k jejich IR a VCD spektrům. (cs)
We have done extended comparative density functional theory (DFT) computations to characterize the expected spectral contributions of selected turn structures to the amide IR and VCD spectra of peptides.
We have done extended comparative density functional theory (DFT) computations to characterize the expected spectral contributions of selected turn structures to the amide IR and VCD spectra of peptides. (en)
Tight beta-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects
Tight beta-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects (en)
Beta-ohyby peptidů. DFT studie IR a VCD různých konformerů zahrnující solvatační efekty (cs)
Tight beta-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects
Tight beta-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects (en)
Beta-ohyby peptidů. DFT studie IR a VCD různých konformerů zahrnující solvatační efekty (cs)