Single Protein Analysis
eMap enables automated robust identification of possible electron or hole transfer channels in proteins based on their crystal structures. The model is based on a coarse-grained version of the Pathways 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.
eMap enables automated robust identification of possible electron or hole transfer channels in proteins based on their crystal structures. The model is based on a coarse-grained version of the Pathways 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: A Web Application for Identifying and Visualizing Electron or Hole Hopping Pathways in Proteins. J. Phys. Chem. B, 2019, 123, 6946
PDB ID or Upload a File for Single Protein
