I seek to address biochemical questions of medical importance using computational methods. My work primarily focuses on the use of molecular dynamics to study the thermodynamics of biomolecules, particularly proteins. My preferred methodology is to use enhanced sampling algorithms, such as replica-exchange, with molecular dynamics simulations. I also endeavor to explore novel methodologies, focusing on machine learning, which will improve the study of biomolecular mechanisms and enhance the field of computational science. The systems I study include amyloidogenic peptides, such as Aβ peptides involved in Alzheimer’s disease, and antimicrobial peptides.

Recent Publications

Mechanisms of binding of antimicrobial peptide PGLa to DMPC/DMPG membrane.

Met35 oxidation hinders Aβ25-35 peptide aggregation within the dimyristoylphosphatidylcholine bilayer.

Partitioning of Aβ peptide fragments into blood–brain barrier mimetic bilayer.

All Publications