Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments
Author:
Affiliation:
1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences
2. Praha 6
3. Czech Republic
4. Department of Physical Chemistry
5. Faculty of Science
6. Palacky University Olomouc
7. Olomouc
Abstract
Computational “error bars” for modelling cyclic dinucleotides – NMR experiment vs. quantum mechanics and molecular dynamics.
Funder
Ministerstvo Školství, Mládeže a Tělovýchovy
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/2021/CP/D0CP05993E
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1. Cyclic Dinucleotides and the Innate Immune Response
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3. The cGAS-cGAMP-STING Pathway of Cytosolic DNA Sensing and Signaling
4. NEMO–IKKβ Are Essential for IRF3 and NF-κB Activation in the cGAS–STING Pathway
5. Regulation and function of the cGAS–STING pathway of cytosolic DNA sensing
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