The stability of thin water films on a variety of gold nanostructures was simulated by molecular dynamics simulations. The critical film thickness to prevent a film break-up was investigated as a function of the characteristic length of the nanostructures. Layering of water molecules adjacent to the gold substrate was observed as a result of the strong van der Waals interactions between the water molecules and the gold atoms. A model for the critical film thickness in the presence of nanostructures is developed based on the stability analysis. The model prediction is compared with molecular dynamics simulations with good agreement.
Using molecular dynamics simulations the adsorption of peptides onto nanostructured surfaces, consisting of alternating hydrophilic-hydrophobic stripes, was investigated. The adsorption strength, calculated using metadynamics, was found to decrease as the stripe width gets smaller. The contribution of peptide conformation, entropy, and water structure on the adsorption strengths were investigated.
Using molecular dynamics simulations the adsorption of peptides onto nanostructured surfaces, consisting of alternating hydrophilic-hydrophobic stripes, was investigated. The adsorption strength, calculated using metadynamics, was found to decrease as the stripe width gets smaller.
Using molecular dynamics simulations the adsorption of peptides onto nanostructured surfaces, consisting of alternating hydrophilic-hydrophobic stripes, was investigated. The adsorption strength, calculated using metadynamics, was found to decrease as the stripe width gets smaller.
Effect of Surface Structure on Peptide Adsorption on Soft Surfaces