The interactions between the luciferase surface area around the active site and the Si surface were estimated by molecular dynamics simulations. The results show that the luciferase surface area around the active site is more unstable than the luciferase surface area with relatively high hydrophobicity when luciferase adsorbs on the Si surface. The main factor of the decrease in activity of luciferase on the Si surface would be adsorption-induced structural changes in active site. Si surface should be designed focusing on structural changes in active site.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
- Condensed Matter Physics