Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics
Júlio Cesar Mendes Lobato, Tiago da Silva Arouche, Jordan Del Nero, TarcisoAndrade Filho, Rosivaldo S. Borges, Antônio Maia de Jesus Chaves Neto
Topics & Concepts
Molecular dynamicsChemistryZigzagCarbon nanotubeDocking (animal)Interaction energyMolecular modelPotential of mean forceNanotubeChemical physicsMetadynamicsComputational chemistryNanotechnologyMoleculeStereochemistryMaterials scienceMathematicsMedicineOrganic chemistryGeometryNursingthermodynamics and calorimetric analysesComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Research