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Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design
Urea derivatives are ubiquitously found in many chemical disciplines. N,N′-substituted ureas may show different conformational preferences depending on their substitution pattern. The high energetic barrier for isomerization of the cis and trans state poses additional challenges on computational sim...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4912590/ https://www.ncbi.nlm.nih.gov/pubmed/27272323 http://dx.doi.org/10.1007/s10822-016-9913-4 |