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Inside Back Cover: The Nature of Activated Non‐classical Hydrogen Bonds: A Case Study on Acetylcholinesterase–Ligand Complexes (Chem. Eur. J. 8/2016)
Author(s) -
Berg Lotta,
Mishra Brijesh Kumar,
Andersson C. David,
Ekström Fredrik,
Linusson Anna
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201505110
Subject(s) - hydrogen bond , acetylcholinesterase , chemistry , ligand (biochemistry) , stereochemistry , cover (algebra) , hydrogen , crystallography , computational chemistry , enzyme , biochemistry , organic chemistry , receptor , molecule , mechanical engineering , engineering
The nature of non‐classical hydrogen bonds of the CH⋅⋅⋅Y type involving electron‐deficient CH donors has been investigated. The hydrogen bonds between the enzyme acetylcholinesterase and different drug‐like ligands were computationally analysed in their original protein milieu. The results show that the CH⋅⋅⋅O and CH⋅⋅⋅arene interactions activated by a proximal cation are dispersion dominated and comparable to or greater in strength than classical hydrogen bonds. More information can be found in the Full Paper by A. Linusson et al. on page 2672 ff.