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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...
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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4912590/ https://ncbi.nlm.nih.gov/pubmed/27272323 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9913-4 |
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