A Benchmark Study of Protein–Fragment Complex Structure Calculations with NMR(2)

Protein–fragment complex structures are particularly sought after in medicinal chemistry to rationally design lead molecules. These structures are usually derived using X-ray crystallography, but the failure rate is non-neglectable. NMR is a possible alternative for the calculation of weakly interac...

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Detalles Bibliográficos
Autores principales: Torres, Felix, Stadler, Gabriela, Kwiatkowski, Witek, Orts, Julien
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10531959/
https://www.ncbi.nlm.nih.gov/pubmed/37762631
http://dx.doi.org/10.3390/ijms241814329

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10531959/
https://www.ncbi.nlm.nih.gov/pubmed/37762631
http://dx.doi.org/10.3390/ijms241814329

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