Carbon Nanomaterial – Protein Interactions: A Molecular Dynamics Study
Thursday, April 22, 2021
12:00 PM - 1:00 PM
Carbon-based nanomaterial such as carbon nanotubes (CNT), graphene (Gr), graphene quantum dots (GQD) possesses excellent electrical properties as well as selective binding affinity to biomolecules. Adsorption of biomolecules such as proteins and DNA on such nanomaterials can manipulate their electrical property and can find application in nano-bio sensors. One of the direct approaches to study the adsorption of biomolecules on the nanomaterial surface is by molecular dynamics computations. Molecular dynamic computation uses high performance computing and can explain the structural changes in proteins or DNAs during the adsorption process. This presentation will give an insight into 3D graphical visualization of bio-nano interface at atomic level.