Allosteric effects of gold nanoparticles on human serum albumin.

ABSTRACT: The ability of nanoparticles to alter protein structure and dynamics plays an important role in their medical and biological applications. We investigate allosteric effects of gold nanoparticles on human serum albumin protein using molecular simulations. The extent to which bound nanoparticles influence the structure and dynamics of residues distant from the binding site is analyzed. The root mean square deviation, root mean square fluctuation and variation in the secondary structure of individual residues on a human serum albumin protein are calculated for four protein-gold nanoparticle binding complexes. The complexes are identified in a brute-force search process using an implicit-solvent coarse-grained model for proteins and nanoparticles. They are then converted to atomic resolution a

SUBMITTER: Shao Q 

PROVIDER: S-EPMC5314867 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature