eMap: Online Mapping Electron Transfer Channels in Proteins

SPRING 2017 RESEARCH INCUBATION AWARDEES 

PI: Ksenia Bravaya, Chemistry, CAS

This project is developing a computational platform for automated pre-screening of protein X-ray structure for efficient ET channels from user-defined source residue or co-factor to surface-exposed amino acids and its implementation as a robust web application. The developed web-based application, eMap, will enable prediction of electron transfer channels based on the protein crystal structure using graph theory and the distance-dependent electron tunneling penalty functions. eMap will be freely available for students, faculty, and researchers from Boston University and from other educational institutions.

This work is funded by a Hariri Research Award made in January, 2017.