Research
Research Organized by Questions
My research asks how membrane proteins like HER2 and Piezo ion channels move and communicate, and how molecular dynamics, metadynamics, and mixed-resolution methods can reveal the states that matter for disease and therapeutics.
Precision oncology
HER2 Receptor Dynamics
HER2 is a membrane receptor whose mutations and conformational states drive cancer signaling. I use all-atom molecular dynamics to study the HER2 V659E mutation, kinase domain dynamics, and how these motions relate to clinical response - work presented at PACES Computational Training (Albuquerque, 2025) and NMSU's Research and Creativity Week (2024).
Rare events
Enhanced Sampling & Metadynamics
Biologically important conformational changes are often rare on standard MD timescales. I use metadynamics and other enhanced sampling techniques to map free-energy landscapes and reveal transition pathways that shape receptor signaling.
Method development
Mixed-Resolution Simulation Methods
Full atomistic detail isn't always affordable at the size and timescale membrane biology needs. I develop mixed-resolution protocols that combine all-atom and coarse-grained representations in one system, and perform DFT calculations (Gaussian, ORCA) to support force-field development.