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Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination

It is widely accepted that structural rigidity is required to achieve high levels of asymmetric induction in catalytic, enantioselective reactions. This fundamental design principle often does not apply to highly selective catalytic peptides that often exhibit conformational heterogeneity. As a resu...

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Detalhes bibliográficos
Publicado no:ACS Catal
Main Authors: Yan, Xin Cindy, Metrano, Anthony J., Robertson, Michael J., Abascal, Nadia C., Tirado–Rives, Julian, Miller, Scott J., Jorgensen, William L.
Formato: Artigo
Idioma:Inglês
Publicado em: 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6342276/
https://ncbi.nlm.nih.gov/pubmed/30687577
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscatal.8b03563
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