Density functional study of conformational states for burkholdac C, a biologically active bicyclic depsipeptide from the bacterium Burkholderia Thailandensis

HighlightsThe lowest energy conformer of the peptide backbone ring is used to design initial conformations of burkholdac C.Four low energy conformers of burkholdac C are characterised by conformational geometry optimisation and electronic circular dichrosim calculations.Taking into account the functional, basis and solvent factors, the calculated electronic circular dichrosim agrees with the experiment.