Carbon nanotubes for rapid capturing of SARS-COV-2 virus: revealing a mechanistic aspect of binding based on computational studies
Shivkumar Patel, Amit Kumar Srivastav, Sanjeev K. Gupta, Umesh Kumar, Santosh Kumar Mahapatra, P. N. Gajjar, Indrani Banerjee
Abstract
with 6LZG were shown by the armchair MWCNTs with SARS-CoV-2 through the simulated molecular dynamic trajectories, which could alter the SARS-CoV-2 structure with higher accuracy. The radial distribution function also confirms the density variation as a function of distance from a reference particle of MWCNTs for the study of interparticle interactions of the MWCNT and SARS-CoV-2. Due to these interesting attributes, such MWCNTs could find potential application in personal protective equipment (PPE) and diagnostic kits.
Topics & Concepts
ZigzagBinding energyMolecular dynamicsCarbon nanotubeMaterials scienceTight bindingNanotechnologyChemical physicsChemistryBiophysicsComputational chemistryElectronic structurePhysicsBiologyMathematicsGeometryNuclear physicsSARS-CoV-2 detection and testingSARS-CoV-2 and COVID-19 ResearchCarbon Nanotubes in Composites