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Quantum‐Chemical and Combined Quantum‐Chemical/Molecular‐Mechanical Studies on the Stabilization of a Twin Arginine Pair in Adenovirus Ad11
Author(s) -
Sumowski Chris Vanessa,
Schmitt Benedikt B. T.,
Schweizer Sabine,
Ochsenfeld Christian
Publication year - 2010
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201004022
Subject(s) - arginine , stacking , quantum chemical , quantum , quantum dot , hydrogen bond , chemistry , computational biology , computer science , physics , nanotechnology , crystallography , bioinformatics , chemical physics , materials science , biochemistry , molecule , biology , quantum mechanics , amino acid , organic chemistry
Arginine stacking : The stability of a doubly charged twin arginine pair that is crucial for the binding of an adenovirus to its preferred cellular receptor has been analyzed by quantum‐chemical calculations. Both electrostatic effects and a complex network of hydrogen bonds within the microenvironment of the arginine pair stabilize this arrangement (see picture).