Application of machine learning to APT data to trace nanoscale protein structure
EMSL Project ID
51152
Abstract
The objective of this project is the development and application of deep learning algorithms aimed at extracting molecular structure within Atom Probe Tomography (APT) data collected from protein crystals. Specifically, the computational tools and approach we develop here will be designed to mine a 3D molecular model of a 3D protein crystal of known composition and structure to define a series of key repeating molecular units making up a representative carbon backbone. Effort will then be turned to mining experimental APT 3D data to search for, and string together the same molecular structural units to identify key protein fragments as well as the orientation of the protein. This new approach will ultimately provide the unique quantitative mapping of complex protein structure at the atomic-to-nanoscale.
Project Details
Start Date
2019-10-02
End Date
2021-03-31
Status
Closed
Released Data Link
Team
Principal Investigator
Co-Investigator(s)
Team Members