Please use this identifier to cite or link to this item: https://research.matf.bg.ac.rs/handle/123456789/341
Title: What are the preferred horizontal displacements of aromatic-aromatic interactions in proteins? Comparison with the calculated benzene-benzene potential energy surface
Authors: Ninković, Dragan B
Andrić, Jelena M
Malkov, Saša 
Zarić, Snežana D
Affiliations: Informatics and Computer Science 
Issue Date: 2014
Journal: Physical chemistry chemical physics : PCCP
Abstract: 
The data from protein structures from the Protein Data Bank and quantum chemical calculations indicate the importance of aromatic-aromatic interactions at large horizontal displacements (offsets). The protein stacking interactions of the phenylalanine residue show preference for large offsets (3.5-5.0 Å), while the calculations show substantially strong interactions, of about -2.0 kcal mol(-1).
URI: https://research.matf.bg.ac.rs/handle/123456789/341
ISSN: 14639076
DOI: 10.1039/c3cp54474e
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