A6H polypeptide membranes: Molecular dynamics simulation, GIAO-DFT-NMR and TD-DFT spectroscopy analysis
Douglas X. de Andrade, Guilherme Colherinhas
Topics & Concepts
ChemistryMolecular dynamicsNuclear magnetic resonance spectroscopySpectroscopyMembraneMonomerComputational chemistryMoleculeChemical shiftDensity functional theoryCrystallographyPhysical chemistryStereochemistryOrganic chemistryPhysicsPolymerBiochemistryQuantum mechanicsSupramolecular Self-Assembly in MaterialsDNA and Nucleic Acid ChemistryProtein Structure and Dynamics