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Cover Image, Volume 39, Issue 20
Publication year - 2018
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.25521
Subject(s) - cover (algebra) , computer science , representation (politics) , mechanical engineering , politics , political science , law , engineering
On page 1568, Quentin R. Johnson and colleagues present a computational method to provide an analysis of conformations of biopolymers from a contact viewpoint. They utilize the computer program CAMERRA, which reveals concerted motions by tracking the correlated contact dynamics between segments (small groups of sequentially neighboring residues) in a protein complex, the ligand‐binding domains of nuclear hormone receptors (left: TR, right: RXR). Each receptor contains one ligand (vdW surface representation). The protein backbone (green) is shown with a ribbon representation. The inter‐segment dynamics are illustrated as color‐coded cylinders, where contact breaking (red) and forming (blue) describe the communication between the two ligands via a network of contact dynamics. The intra‐segment dynamics show the internal dynamics as color‐coded spheres (same color scheme). (DOI: 10.1002/jcc.25192 )