Lysozyme orientation and conformation on MoS₂ surface: Insights from molecular simulations.

ABSTRACT: Two-dimensional molybdenum disulfide (MoS₂) has attracted intense interest owing to its unique properties and promising biosensor applications. To develop effective biocompatible platforms, it is crucial to understand the interactions between MoS₂ and biological molecules such as proteins, but little knowledge exists on the orientation and conformation of proteins on the MoS₂ surface at the molecular level. In this work, the lysozyme adsorption on the MoS₂ surface was studied by molecular dynamics simulations, wherein six different orientations were selected based on the different faces of lysozyme. Simulation results showed that lysozyme tends to adsorb on the MoS₂ surface in an "end-on" orientation, indicating that orientations withi

SUBMITTER: Fan H 

PROVIDER: S-EPMC5457294 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature