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Adsorption Of Peptides (A3, Flg, Pd2, Pd4) On Gold And Palladium Surfaces By A Coarse-Grained Monte Carlo Simulation, R. B. Pandey, Hendrik Heinz, Jie Feng, Barry L. Farmer, Joseph M. Slocik, Lawrence F. Drummy, Rajesh R. Naik
Adsorption Of Peptides (A3, Flg, Pd2, Pd4) On Gold And Palladium Surfaces By A Coarse-Grained Monte Carlo Simulation, R. B. Pandey, Hendrik Heinz, Jie Feng, Barry L. Farmer, Joseph M. Slocik, Lawrence F. Drummy, Rajesh R. Naik
Hendrik Heinz
Monte Carlo simulations are performed to study adsorption and desorption of coarse-grained peptide chains on generic gold and palladium surfaces in the presence of solvent. The atomistic structural details are ignored within the amino acid residues; however, their specificity and hydrophobicity are incorporated via an interaction matrix guided by atomistic simulation. Adsorption probabilities of the peptides A3, Flg, Pd2, Pd4, Gly10, Pro10 on gold and palladium surfaces are studied via analysis of the mobility of each residue, the interaction energy with the surface, profiles of the proximity to the surface, the radius of gyration, and comparisons to homopolymers. In contrast …