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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Detalles Bibliográficos
Autores principales: Loeffler, Johannes R., Ehmki, Emanuel S. R., Fuchs, Julian E., Liedl, Klaus R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Article
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

Internet

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

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