Elucidation of collagen amino acid interactions with metals (B, Ni) encapsulated graphene/PEDOT material: Insight from DFT calculations and MD simulation
Rawlings A. Timothy, Hitler Louis, Eze A. Adindu, Terkumbur E. Gber, Ernest C. Agwamba, Offiong E. Offiong, Anthony M.S. Pembere
Topics & Concepts
GrapheneDensity functional theoryMolecular dynamicsAdsorptionChemistryComputational chemistryReactivity (psychology)Amino acidElectron transferChemical physicsMaterials sciencePhysical chemistryNanotechnologyMedicinePathologyBiochemistryAlternative medicinePolymer Surface Interaction StudiesEffects and risks of endocrine disrupting chemicalsBone Tissue Engineering Materials