Recent advancements in peptide engineering focuses on creating and designing beta sheet structures for nanomaterials and biomedical applications. I have explored anti-parallel beta sheets through computational design, emphasizing the challenges in distinguishing between different beta sheet conformations. I further built on this by designing parallel β-sheet nanofibrils using Monte-Carlo simulations, demonstrating that computational methods can differentiate between parallel and anti-parallel structures.
Furthermore, I was able to expand this research to include bioactive domains in β-sheet peptides for hydrogel applications in wound healing and other biomedical uses. They identified three potential outcomes for peptide self-assembly mentioned below.
1: Formation of nanofibers with beta sheets covering bioactive domains, allowing receptor binding.
2: Beta sheets blocking bioactive domains, preventing receptor interaction.
3: Bioactive domains interfering with self-assembly, resulting in no nanofibers.
This research integrates computational design with experimental validation to engineer peptides with desired structural and functional properties. I focused on Transmission Electron Microscopy (TEM) which is crucial for revealing atomic details, bridging the gap between molecular design and practical applications in nanomaterials and biomedicine.