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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.24400
Subject(s) - cover (algebra) , flux (metallurgy) , enhanced data rates for gsm evolution , quantum tunnelling , image (mathematics) , electron , surface (topology) , physics , chemistry , crystallography , combinatorics , computer science , mathematics , geometry , condensed matter physics , quantum mechanics , artificial intelligence , engineering , mechanical engineering , organic chemistry
The Electron Tunneling in Proteins procedure, presented by Muhammad A. Hagras and Alexei A. Stuchebrukhov on page 1388 (DOI: 10.1002/jcc.24348 ), incorporates protein pruning, quantum mechanical calculations, bi‐orthogonalization, tunneling current calculations, and visualizations. The cover shows the electron tunneling flux through a dividing surface in the heme b L →hem b H redox system at two different Phe90 conformations (ON LH and OFF LH ). The flux plot in the lower half shows the edge‐to‐edge tunneling flux at the two conformations plotted as log 10 of the flux, adjusted by multipling by 10 3 , against the normalized coordinate.