High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction—A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1

The identification of multiple simultaneous orientations of small molecule inhibitors binding to a protein target is a common challenge. It has recently been reported that the conformational heterogeneity of ligands is widely underreported in the Protein Data Bank, which is likely to impede optimal...

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Detalles Bibliográficos
Autores principales: Ma, Shumeng, Mykhaylyk, Vitaliy, Bowler, Matthew W., Pinotsis, Nikos, Kozielski, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10342360/
https://www.ncbi.nlm.nih.gov/pubmed/37446375
http://dx.doi.org/10.3390/ijms241311197

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10342360/
https://www.ncbi.nlm.nih.gov/pubmed/37446375
http://dx.doi.org/10.3390/ijms241311197

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