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C–halogen…\pi interactions in proteins: a database study

Saraogi, Ishu and Vijay, VG and Das, Soma and Sekar, K and Row, Guru TN (2003) C–halogen…\pi interactions in proteins: a database study. In: Crystal Engineering, 6 (2). pp. 69-77.

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A Protein Data Bank (PDB) study was undertaken to investigate the role of C–X…\pi interactions (X = F, Cl, Br, I) in protein structures. From this analysis, it is evident that the propensity for the formation of C– X…\pi interactions is higher in case of fluorine than in other halogens. These results compare well with the recently reported C–X…\pi interactions in small molecules and depict the orientational dependence of these interactions.

Item Type: Journal Article
Publication: Crystal Engineering
Publisher: Elsevier
Additional Information: The Copyright belongs to Elsevier.
Keywords: C–halogen...π interactions;Database study;Macromolecules;Weak interactions
Department/Centre: Division of Interdisciplinary Sciences > Supercomputer Education & Research Centre
Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Information Sciences (Doesn't exist now) > BioInformatics Centre
Date Deposited: 25 Apr 2006
Last Modified: 19 Sep 2010 04:25
URI: http://eprints.iisc.ac.in/id/eprint/6462

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