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. Author manuscript; available in PMC: 2018 Oct 19.

Published in final edited form as: J Phys Chem B. 2017 Oct 4;121(41):9557–9565. doi: 10.1021/acs.jpcb.7b08320

Structural snapshots along the escape pathway of PPi as a function of the milestone number. The cartoon models the backbone of the protein and DNA. The red and gray space-filling model is the PPi. The stick models are the three lysine side-chains (66, 71, and 220). (A) the initial structure, (B) milestone 10, (C) milestone 27, (D) milestone 32.

Structural snapshots along the escape pathway of PPi as a function of the milestone number. The cartoon models the backbone of the protein and DNA. The red and gray space-filling model is the PPi. The stick models are the three lysine side-chains (66, 71, and 220). (A) the initial structure, (B) milestone 10, (C) milestone 27, (D) milestone 32.