Multiscale Modeling of Bio-Nano Interactions of Zero-Valent Silver Nanoparticles.

ABSTRACT: Understanding the specifics of interaction between the protein and nanomaterial is crucial for designing efficient, safe, and selective nanoplatforms, such as biosensor or nanocarrier systems. Routing experimental screening for the most suitable complementary pair of biomolecule and nanomaterial used in such nanoplatforms might be a resource-intensive task. While a range of computational tools are available for prescreening libraries of proteins for their interactions with small molecular ligands, choices for high-throughput screening of protein libraries for binding affinities to new and existing nanomaterials are very limited. In the current work, we present the results of the systematic computational study of interaction of various biomolecules with pristine zero-valent noble metal nano

SUBMITTER: Subbotina J 

PROVIDER: S-EPMC8859825 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature