Figure 3.

The influence of the “electrostatic highway” on the channeling of charged substrates. Among the 60 DHFR‐TS active site pairs from the 30 ClusPro poses, “elec highway” (gray) represents the 17 pairs with observed “highways”, and “no elec highway” (white) represents the other 43 pairs. This plot is a histogram with bin size of 5% and the first bin is (0%, 5%]. (A) For charged substrates, channeling is significantly enhanced by an “electrostatic highway.” B) When the substrate is neutral, the existence of an “electrostatic highway” does not have a noticeable impact on the substrate channeling efficiency.