“…The potential utility of covariance analysis of MD simulations was described by McCammon and Harvey (McCAmmon & Harvey, 1987), and subsequent research comes from several laboratories (Harte et al, 1990;Harte, 1992;Hunenberger, Mark, & van Gunsteren, 1995;Ichiye, Olafson, Swaminathan & Karplus, 1986;Roy & Post, 2012). Insights into allostery from MD have been reported in a number of cases (Bowerman & Wereszczynski, 2016;Ho & Agard, 2009;Hertig, Latorraca & Dror, 2016;Ota & Agard, 2005;Sharp & Skinner, 2006). Pairwise coevolving amino acids have been used to identify structural and dynamical domains in proteins (Granata, Ponzoni, Micheletti, & Carneval, 2017;Ponzoni, Polles, Carnevale, & Micheletti, 2015).…”