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‘All That Glitters Is Not Gold’: High-Resolution Crystal Structures of Ligand-Protein Complexes Need Not Always Represent Confident Binding Poses

Our understanding of the structure–function relationships of biomolecules and thereby applying it to drug discovery programs are substantially dependent on the availability of the structural information of ligand–protein complexes. However, the correct interpretation of the electron density of a sma...

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Detalles Bibliográficos
Autores principales: Chakraborti, Sohini, Hatti, Kaushik, Srinivasan, Narayanaswamy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8268033/
https://www.ncbi.nlm.nih.gov/pubmed/34202053
http://dx.doi.org/10.3390/ijms22136830