Focuses on multiresolution geometric data structures and computational mathematics algorithms that are essential for a wide range of molecular structure determination, energetics, interactions, and simulations.

Microscopy 3D Cryo-Electron Microscopy
Molecular Imaging Volumetric Feature Extraction and Visualization of Tomographic Molecular Imaging

Protein–Protein Interaction
Protein–Protein Interaction
Protein/RNA Informatics Protein/RNA Informatics
Neuro-Muscular Junction Modeling of Synaptic Transmission in a Neuro-Muscular Junction
MFDBS Molecular Signatures
The goal of this project is to identify and distinguish biomolecules, and develop clustering methods based on certain signatures or fingerprints. The fingerprints are computed from both shapes and properties such as electrostatic potentials.
RNA Translation RNA Translation
Bio-Chem Simulation BioChemSIM
Note: this earlier project has been integrated in the MolEnergy and TexMol packages.