Dr. Mingfei Zhao’s Lab at University of Alabama

Dr. Zhao group’s research is interested in utilizing multiscale modeling techniques to understand and manipulate biomolecule and particle self-assembly towards a diverse spectrum of applications. 
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Hierarchical self-assembly offers a pathway for the bottom-up creation of nanomaterials, granting specific structures and functions not easily achievable through top-down methods. Employing multiscale computational modeling proves to be an influential tool in comprehending and managing the intricate assembly processes across varying length and time scales. Dr. Zhao’s group aims to develop and use computational modeling tools in comprehending and steering self-assembly dynamics for rational design of advanced functional biomaterials. 
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Peptoids, recognized for their exceptional biocompatibility and stability, present promising avenues for applications in antimicrobials, drugs, and catalysts. Pioneering simulation endeavors from Dr. Zhao’s group have unveiled critical understandings of the structures and properties of peptoid-based nanomaterials. Some examples of current projects include: Some examples of current projects include: (1) molecular modeling of peptoid assembly for drug discovery and delivery, (2) mesoscale modeling of peptoid-grafted nanoparticle assembly for advanced nanofabrication, and (3) data-driven molecular design of functional biopolymers.