Introducing Novel Titanium Binding Peptides; Effect of the Sequence of Amino Acids on Their Adsorption Energy to TiO2
Year: 2024
Type: conference-paper
Abstract: 20 peptides showed potential adsorption affinity to TiO 2 in unbiased atomistic MD simulations.-By employing the enhanced sampling multiple-walker metadynamics method, we calculated the adsorption free -We found 13 novel sequences having higher affinities to TiO 2 than the intial sequences in min TBP-1.Some of these novel sequences adsorb to 2-6 times stronger than min TBP-1.Further investigations showed several bound state conformations for peptides when they are adsorbed on the TiO 2 .-These novel sequences promise much better specificity toward TiO 2 than min TBP-1 and their performance and selectivity could be explored experimentally.
Source: European Peptide Symposium (EPS)
Authors: Roja Rahmani, Alexander P. Lyubartsev
Institution: Stockholm University
Language: English
Subfield: Surfaces, Coatings and Films
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W4403191047