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Decisive Influence of Environment on Aromatic/Aromatic Interaction Geometries. Comparison of Aromatic/Aromatic Interactions in Crystal Structures of Small Molecules and in Protein Structures
dc.creator | Živković, Jelena M. | |
dc.creator | Stanković, Ivana M. | |
dc.creator | Ninković, Dragan | |
dc.creator | Zarić, Snežana D. | |
dc.date.accessioned | 2021-08-27T11:00:38Z | |
dc.date.available | 2021-08-27T11:00:38Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 1528-7483 | |
dc.identifier.uri | https://cherry.chem.bg.ac.rs/handle/123456789/4532 | |
dc.description.abstract | Geometries of aromatic/aromatic interactions in crystal structures of small molecules from the Cambridge Structural Database (CSD) (benzene/benzene, toluene/toluene, and p-phenol/p-phenol interactions) and in protein structures from the Protein Data Bank (PDB) (Phe/Phe and Tyr/Tyr interactions) were studied and compared. The data show a larger influence of crystal packing/surrounding, more than the influence of substituents, on geometries of aromatic/aromatic interactions. While the interactions in crystal structures from the CSD show preference for parallel stacking interactions at the large offsets, in proteins from the PDB, they show preference for T-shaped geometries with small offsets. | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200288/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS// | |
dc.relation.isreferencedby | https://cherry.chem.bg.ac.rs/handle/123456789/4533 | |
dc.rights | restrictedAccess | |
dc.source | Crystal Growth & Design | |
dc.title | Decisive Influence of Environment on Aromatic/Aromatic Interaction Geometries. Comparison of Aromatic/Aromatic Interactions in Crystal Structures of Small Molecules and in Protein Structures | |
dc.type | article | en |
dc.rights.license | ARR | |
dcterms.abstract | Нинковић, Драган; Живковић, Јелена М.; Станковић, Ивана М.; Зарић, Снежана Д.; | |
dc.citation.volume | 21 | |
dc.citation.issue | 4 | |
dc.citation.spage | 1898 | |
dc.citation.epage | 1904 | |
dc.identifier.wos | 000639012100002 | |
dc.identifier.doi | 10.1021/acs.cgd.0c01514 | |
dc.citation.rank | M21~ | |
dc.description.other | Supplementary material: [https://cherry.chem.bg.ac.rs/handle/123456789/4533] | |
dc.type.version | publishedVersion | |
dc.identifier.scopus | 2-s2.0-85105011694 |