A key quantity for calculating the electron transfer rate (and conductivity) is the transfer integral (tight binding hopping integral). Rosa mentioned this nice methodological paper from J. Chem. Phys. which shows how to extract this parameter from methods such as DFT.
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Emergence and protein folding
Proteins are a distinct state of matter. Globular proteins are tightly packed with a density comparable to a crystal but without the spatia...
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