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Inside Cover, Volume 34, Issue 3 Journal of Computational Chemistry 34

Article first published online: 21 DEC 2012 | DOI: 10.1002/jcc.23227

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Rigid cluster decomposition along the thermal unfolding trajectory of α-actalbumin is determined by constraint network analysis, as presented by Christopher Pfleger, Sebastian Radestock, Elena Schmidt, and Holger Gohlke on page 220. Rigid clusters are depicted as uniformly colored bodies, with the blue body representing the largest cluster. Hydrogen bonds and hydrophobic contacts are shown as red and green rods, respectively. The unfolding trajectory is monitored by determining the degree of order in the molecule vs. the temperature. The colored steps in this graph denote gross losses of structural stability during the unfolding and can be linked to biologically relevant characteristics of the structure.

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