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A Molecular Dynamics Simulation of the Stability‐Limited Growth Mechanism of Peptide‐Mediated Gold‐Nanoparticle Synthesis
Author(s) -
Yu Jing,
Becker Matthew L.,
Carri Gustavo A.
Publication year - 2010
Publication title -
small
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.785
H-Index - 236
eISSN - 1613-6829
pISSN - 1613-6810
DOI - 10.1002/smll.201000889
Subject(s) - peptide , dihedral angle , molecular dynamics , residue (chemistry) , nanoparticle , materials science , colloidal gold , nanotechnology , chemical physics , crystallography , chemical engineering , chemistry , molecule , computational chemistry , organic chemistry , biochemistry , hydrogen bond , engineering
The binding of a 12‐residue peptide to a Au {111} surface and nanoparticles with different sizes result in various equilibrium structures and stabilities due to the surface morphology. The equilibrium structures are represented by the distance of peptide atoms to Au surface and the stabilities of peptide residues are represented by the average change of dihedral angles.