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Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble

Leucine enkephalin (LeuEnk), a biologically active endogenous opioid pentapeptide, has been under intense investigation because it is small enough to allow efficient use of sophisticated computational methods and large enough to provide insights into low-lying minima of its conformational space. Her...

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Detalles Bibliográficos
Autores principales:	Kotobi, Amir, Schwob, Lucas, Vonbun-Feldbauer, Gregor B., Rossi, Mariana, Gasparotto, Piero, Feiler, Christian, Berden, Giel, Oomens, Jos, Oostenrijk, Bart, Scuderi, Debora, Bari, Sadia, Meißner, Robert H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9984374/ https://www.ncbi.nlm.nih.gov/pubmed/36869192 http://dx.doi.org/10.1038/s42004-023-00835-3

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