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Rapid assessment of conformational preferences in biaryl and aryl carbonyl fragments

The ability to rapidly assess the preferred conformation of key fragments in a structure “by visual inspection” is a very useful starting point in the process of drug design. With the ability to do so, one could address questions like: “How could we avoid planarity in a molecule?”, “Will a molecule...

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Detalles Bibliográficos
Autores principales: Gutiérrez Sanfeliciano, Sonia Maria, Schaus, John M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5851544/
https://www.ncbi.nlm.nih.gov/pubmed/29538410
http://dx.doi.org/10.1371/journal.pone.0192974