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Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives
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SYSNO ASEP 0351375 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Author(s) Buděšínský, Miloš (UOCHB-X) RID, ORCID
Císařová, I. (CZ)
Podlaha, J. (CZ)
Borremans, F. A. M. (BE)
Martins, J. C. (BE)
Waroquier, M. (BE)
Pauwels, E. (BE)Number of authors 7 Source Title Acta Crystallographica Section B-Structural Science - ISSN 0108-7681
B66, č. 6 (2010), s. 662-677Number of pages 16 s. Language eng - English Country DK - Denmark Keywords cyclic dipeptides ; DFT calculations ; X-ray ; computational study Subject RIV CC - Organic Chemistry R&D Projects GA203/09/1919 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000284549900009 DOI 10.1107/S0108768110040243 Annotation The crystal structures of a set of eight closely-related cyclodipeptides are determined. By comparing with DFT gas-phase and periodic calculations, the intra- and intermolecular interactions governing these crystals are investigated. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2011
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