Effect of Surface Structure on Peptide Adsorption on Soft Surfaces

2018-06-29T13:47:42Z (GMT) by David Cheung
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.