Thursday, April 24, 2025
4/24/2025
Molecular Modeling of Peptide-Drug Amphiphiles - DESCRIPTION: In this proposal, a scheme is outlined to develop multi-scale modeling efforts of peptide-drug amphiphiles in direct collaboration with an experimental group. Peptide drug-amphiphiles self- assemble into cylindrical fibers with unique characteristics - high drug loading and morphological tunability. Particularly interesting is the ability to tune the peptide sequence to optimize the mechanical properties (persistence length) of the fibers. Control of the persistence length of the fibers should allow for the optimization of the circulation time in the blood-stream. Furthermore, the ability to tune the persistence length and shape (such as helicity) of the fibers will provide for a method to optimize the interaction with and across the cellular membrane. Insight gained should inform the design of novel anticancer drug delivery systems.
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