Normal mode calculation and infrared spectroscopy of proteins in water solution: Relationship between amide I transition dipole strength and secondary structure
Francesca Ripanti, Nicole Luchetti, A. Nucara, Velia Minicozzi, Almerinda Di Venere, A. Filabozzi, Marina Carbonaro
Topics & Concepts
Antiparallel (mathematics)Protein secondary structureChemistryDelocalized electronDipoleAmideInfrared spectroscopyRotational–vibrational couplingFourier transform infrared spectroscopyInfraredMolecular vibrationComputational chemistryMolecular dynamicsNormal modeCrystallographyChemical physicsMoleculeVibrationPhysicsOrganic chemistryOpticsQuantum mechanicsMagnetic fieldBiochemistrySpectroscopy and Quantum Chemical StudiesMolecular Spectroscopy and StructureAdvanced Chemical Physics Studies