Projects
Projects & Research Data
Active research directions, the SimLab Science platform, and a live viewer for hosting real structures and trajectories from my PhD work - all-atom and coarse-grained alike.
Live platform · Founder & Lead Developer
SimLab Science
A browser-based computational science platform I founded and built for molecular docking, system building, molecular dynamics, DFT, and trajectory analysis - letting researchers and students run these workflows without local installation. SimLab Academy, its cohort-based training program with hands-on GPU labs, has enrolled 163 students across 5 cohorts. Platform usage to date: 1,724 ligands docked across 96 docking runs, 43 systems built, and 46 molecular dynamics simulations run.
Active PhD research
HER2 Receptor Dynamics
All-atom molecular dynamics investigating the HER2 V659E mutation and kinase domain dynamics, connecting structural motion to therapeutic response. Presented as a talk at PACES Computational Training (Albuquerque, 2025) and as a poster at NMSU's Graduate Research and Arts Symposium (2024).
Method development
Mixed-Resolution Simulation Framework
A reproducible methodology for combining all-atom and coarse-grained resolutions strategically across large membrane protein systems, supported by DFT calculations (Gaussian, ORCA) for force-field development.