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Simulation Reveals the Chameleonic Behavior of Macrocycles
[Image: see text] Conformational analysis is central to the design of bioactive molecules. It is particularly challenging for macrocycles due to noncovalent transannular interactions, steric interactions, and ring strain that are often coupled. Herein, we simulated the conformations of five macrocyc...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9832480/ https://www.ncbi.nlm.nih.gov/pubmed/36563083 http://dx.doi.org/10.1021/acs.jcim.2c01093 |