Research portfolio

Methods, mechanisms, and reusable tools.

Selected projects in protein conformational sampling, biomolecular self-assembly, and scientific software.

Flexible-endpoint sampling

Conceptual paths · not sampled structures · schematic

Molecular modeling · Ongoing research

Protein conformational sampling

A modular C++/Python sampler for protein loops, fragments, and intrinsically disordered regions, paired with explicit all-atom validation.

Spatial domain decomposition

Communicating simulation domains · schematic

Scientific computing · Open source

Automated structure-to-simulation workflows and a parallel particle-based reaction-diffusion engine, with numerical validation built in.

Application definition

Validated JSON

PyMOLVMDWeb

One specification to three interfaces · schematic

Research software · Open source

A Python framework that generates PyMOL, VMD, and web applications from a reusable application specification.

Interactions → assembly → remodeling

Conceptual assembly · not simulation output · schematic

Computational biophysics · Published research

Mechanistic models of clathrin and HIV lattices that connect molecular interactions to experimentally observed assembly behavior.

Research & collaboration

I’m interested in molecular-modeling methods, biomolecular simulation, and reusable scientific software.