Solvation of the Boc–Val–Phe–<i>n</i>Pr peptide characterized by VCD spectroscopy and DFT calculations
Kevin Scholten, Christian Merten
Abstract
Based on an extensive conformational sampling, VCD spectroscopy enables the characterization of the dominant conformers and solvation states of the title peptide in DMSO-d 6 solution.
Topics & Concepts
SolvationIntramolecular forceChemistryHydrogen bondConformational isomerismMoleculeSolventSolvent effectsIntermolecular forceCircular dichroismChloroformPeptideVibrational circular dichroismSolvent modelsComputational chemistryImplicit solvationCrystallographyStereochemistryOrganic chemistryBiochemistryMolecular spectroscopy and chiralityProtein Structure and DynamicsSpectroscopy and Quantum Chemical Studies