Figure 3.
Inter-peptide interactions and structural analyses of nanoparticle-peptide complexes. (a) Per residue inter-peptide contact probabilities computed between main-chain (MC) and side-chain (SC) atoms for each molecular system. (b) Radial distribution function (RDF) for both NACore and nanoparticle atoms in nanoparticle-peptide complexes. (c) Probability distribution (PDF) of peptide backbone or side-chain atoms as the function of their distances to nanoparticles or nanoparticle assemblies, defined as the minimum distance of a peptide atom to any nanoparticle atoms. Results for C60(OH)8 and C60(OH)16 are shown in Fig. S2.