Date of Degree
Rein V. Ulijn
Biochemistry | Biology and Biomimetic Materials | Biomaterials | Computational Chemistry | Materials Chemistry | Physical Chemistry | Polymer and Organic Materials
Supramolecular, Self-Assembly, Peptides, Molecular Dynamics, Bioinspired, Minimalistic
The challenge of establishing a sustainable and circular economy for materials in medicine and technology necessitates bioinspired design. Nature's intricate machinery, forged through evolution, relies on a finite set of biomolecular building blocks with through-bond and through-space interactions. Repurposing these molecular building blocks requires a seamless integration of computational modeling, design, and experimental validation. The tools and concepts developed in this thesis pioneer new directions in peptide-materials design, grounded in fundamental principles of physical chemistry. We present a synergistic approach that integrates experimental designs and computational methods, specifically molecular dynamics simulations, to gain in-depth molecular insights crucial for advancing the design of sustainable, bio-inspired (nano)technology for both biological and materials applications.
Dave, Dhwanit Rahul, "Rational Design of Peptide-Based Materials Informed by Multiscale Molecular Dynamics Simulations" (2024). CUNY Academic Works.
Biochemistry Commons, Biology and Biomimetic Materials Commons, Biomaterials Commons, Computational Chemistry Commons, Materials Chemistry Commons, Physical Chemistry Commons, Polymer and Organic Materials Commons