Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach-Reference-Cited by-同舟云学术

Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach

Published:2024 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tichotová Markéta Christou¹²^ORCID,Tučková Lucie¹^ORCID,Kocek Hugo¹^ORCID,Růžička Aleš³^ORCID,Straka Michal¹^ORCID,Procházková Eliška¹^ORCID

Affiliation:

1. Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, 160 00 Prague, Czech Republic

2. Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University, 116 28 Prague, Czech Republic

3. Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Pardubice 532 10, Czech Republic

Abstract

Two different docked poses of two diastereoisomers accommodated in the PBLG helix. Conformational change caused by PBLG was used for generation of new ensembles of conformers for RDC analysis.

Funder

Grantová Agentura České Republiky

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04099B

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