A classical molecular dynamics simulation study of interactions of insulin with boron-nitride and functionalized graphene nanosheets

The molecular dynamics simulation studies of binding of chain B of human insulin to nansheets, wereperformed at full hydration at 310 K. With the aim of investigating the effects on the protein structure and dynamics.The structural parameters as the RMSD of protein, hydrogen bonds analysis, radial distribution functions and etc. areevaluated in total system. The results indicate the protein native structure is kept after connection.

کلیدواژه ها:

Insulin chain B ، protein ، Nanosheet ، Molecular Dynamic Simulation