Fig. 6: Steered MD reveals barriers for benzene permeation.
From: Uptake of monoaromatic hydrocarbons during biodegradation by FadL channel-mediated lateral diffusion
An overlaid force profile from the steered MD simulations via the classical pathway (right) on the cartoon representation of TodX, with benzene positions shown along the reaction coordinate (centre). The TodX plug domain is coloured yellow, S2 and S3 are coloured magenta. Standard deviations are shown in green.
