Skip to main content
. Author manuscript; available in PMC: 2020 Feb 28.
Published in final edited form as: J Phys Chem B. 2019 Jan 3;123(8):1741–1748. doi: 10.1021/acs.jpcb.8b10341

Figure 4.

Figure 4.

(a) Potential of mean force (PMF) profile for JLJ135 unbinding from HIV-RT. (b) Progression of the CV for the metadynamics trajectory with time through three stages of unbinding. The barrier region separating native and pre-complex states is shown in red.