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Cover Image, Volume 37, Issue 15
Publication year - 2016
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.24399
Subject(s) - cover (algebra) , streamlines, streaklines, and pathlines , visualization , quantum tunnelling , computer science , chemistry , physics , information retrieval , crystallography , data mining , condensed matter physics , thermodynamics , mechanical engineering , engineering
On page 1388 (DOI: 10.1002/jcc.24348 ) Muhammad A. Hagras and Alexei A. Stuchebrukhov present the program Electron Tunneling in Proteins to streamline computations and aid in the visualization of electron tunneling in proteins. The top half of the cover shows volume, streamlines, and oriented 3D vectors visualizations of the tunneling currents of the heme b L →heme b H redox system in the ON conformation of the Phe90 residue. The bottom half of the cover shows volume, streamlines, and oriented 3D vectors visualizations of the same tunneling currents when the Phe90 residue is in the OFF conformation. Different representations are colored based on the tunneling flux density from highest (blue) to lowest (red).