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Conformational analysis of macrocycles: comparing general and specialized methods

ABSTRACT: Macrocycles represent an important class of medicinally relevant small molecules due to their interesting biological properties. Therefore, a firm understanding of their conformational preferences is important for drug design. Given the importance of macrocycle-protein modelling in drug di...

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Detalles Bibliográficos
Autores principales: Olanders, Gustav, Alogheli, Hiba, Brandt, Peter, Karlén, Anders
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7036058/
https://www.ncbi.nlm.nih.gov/pubmed/31965404
http://dx.doi.org/10.1007/s10822-020-00277-2