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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 |
Appears in Collections: | Research outputs |
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