Nilsu Donmez
Contact details
Thesis title
Computational and data-driven investigation into antimicrobial efficacy of star-shaped polypeptides
Research overview
Conventional antibiotics are increasingly ineffective, highlighting the urgent need for alternative antimicrobial strategies. Structurally Nanoengineered Antimicrobial Peptide Polymers (SNAPPs) offer a promising solution by employing a multimodal, non-biochemical killing mechanism that physically disrupts bacterial membranes. This project investigates the antimicrobial efficacy of SNAPPs using advanced computational and data-driven approaches to combat antibiotic resistance. A mechanistically grounded pipeline, from atomistic molecular dynamics (MD) simulations to ML-driven optimization, enables high-throughput screening of millions of candidates, facilitating the rational design of potent antimicrobial polymers with minimal host toxicity.
Research group
Integrated Computational Materials Group (ICME)
Supervisors
Qualifications
B.Sc Molecular Biology and Genetics, Istanbul Technical University, Turkey (2018)
M.Eng. Mechanical Engineering, Kyung Hee University, South Korea (2020)