Membrane-Active Peptides & Molecular Mechanisms of Toxicity
One key focus of our lab is to investigate how amyloid-forming peptides disrupt lipid membranes at the atomic scale. Using all-atom molecular dynamics simulations, we examine how membrane-bound amphipathic peptides can self-assemble into β-sheets that either form transmembrane pores or induce detergent-like lipid extraction. These mechanisms shed light on the cytotoxicity of amyloid peptides implicated in neurodegenerative diseases and the biophysics of antimicrobial peptides. Our research uncovers how non-polar side chains of peptides interact with lipid tails, driving membrane perturbation and damage—providing molecular insight critical for therapeutic development and peptide design.
Use all-atom molecular dynamics simulations to uncover how amphipathic or amyloid-forming peptides disrupt lipid membranes through pore formation or lipid extraction. This work contributes to understanding membrane toxicity in neurodegenerative diseases and antimicrobial mechanisms.
Develop or apply ML models to predict structural transitions (e.g., coil-to-β-sheet) and interaction hotspots in peptide-lipid systems. This direction supports rapid screening and classification of toxic versus non-toxic peptide assemblies.
Optical Properties of Unconventional Superconductors
We exploring the fundamental properties of superconducting materials using infrared (IR) and Raman spectroscopy. By probing the vibrational and electronic excitations in superconductors, we aim to gain deeper insight into the pairing mechanisms, energy gap structures, and symmetry-breaking phenomena across various superconducting phases. IR spectroscopy provides valuable information about charge dynamics and low-energy excitations, while Raman scattering enables the detection of collective modes and phonon-electron interactions. This combined spectroscopic approach facilitates the investigation of both conventional and unconventional superconductors, contributing to the understanding and development of novel materials with enhanced superconducting properties.