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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| 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 |