An online platform for identifying and visualizing electron and hole transfer pathways in proteins.
The software enables automated robust identification of possible electron or hole transfer channels in proteins based on their crystal structure. The model is based on the coarse-grained version of the Pathway model and is aimed at capturing electron/hole hopping between the side chains of aromatic amino acids. A specified protein crystal structure is used to build a pairwise distance map between aromatic residue side chains (nodes). The application searches for the shortest path connecting a user-defined source node to one of the surface-exposed residues or a user-defined target node. For more details, please refer to the manual or the quick start guide.

Primary citation:
R.N. Tazhigulov, J.R. Gayvert, M. Wei, and K.B. Bravaya, eMap: an Online Platform for Identifying and Visualizing Electron and Hole Transfer Pathways in Proteins, in preparation (2018).

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