Shedding Light on the Molecular Recognition of Sub-Kilodalton Macrocyclic Peptides on Thrombin by Supervised Molecular Dynamics

Macrocycles are attractive structures for drug development due to their favorable structural features, potential in binding to targets with flat featureless surfaces, and their ability to disrupt protein–protein interactions. Moreover, large novel highly diverse libraries of low-molecular-weight mac...

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Detalles Bibliográficos
Autores principales: Hassankalhori, Mahdi, Bolcato, Giovanni, Bissaro, Maicol, Sturlese, Mattia, Moro, Stefano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8438215/
https://www.ncbi.nlm.nih.gov/pubmed/34532343
http://dx.doi.org/10.3389/fmolb.2021.707661

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8438215/
https://www.ncbi.nlm.nih.gov/pubmed/34532343
http://dx.doi.org/10.3389/fmolb.2021.707661

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