期刊
CHEMICAL COMMUNICATIONS
卷 51, 期 29, 页码 6395-6398出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cc01034a
关键词
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资金
- Centre for Networking and Supercomputing [WCSS159]
- NIH [GM-49093]
- Rutgers University
- NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [R01GM049093] Funding Source: NIH RePORTER
N-Protonation of amides is critical in numerous biological processes, including amide bonds proteolysis and protein folding as well as in organic synthesis as a method to activate amide bonds towards unconventional reactivity. A computationalmodel enabling prediction of protonation at the amide bond nitrogen atom along the C-N rotational pathway is reported. Notably, this study provides a blueprint for the rational design and application of amides with a controlled degree of rotation in synthetic chemistry and biology.
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