Summary of simulated systems and processes, simulation types and durations, and initial states.
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(a) OF and IF refer to the outward- and inward-facing states; o and c refer to the open or closed conformations of the EC or IC gates in either state; asterisk is appended when there is a bound substrate.(b) backbone RMSD with respect to the crystal structure written in parentheses (2A65 and 3TT3 are the respective PDB ids for OFc* and IFo).(c) OFc* conformation generated in run 7 of ref 4.Summary of simulated systems and processes, simulation types and durations, and initial states.
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2015-12-02
