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Fragment-centric topographic mapping method guides the understanding of ABCG2-inhibitor interactions
Understanding protein–ligand interactions is crucial to drug discovery and design. However, it would be extremely difficult for the proteins which only have one available apo structure but multiple binding sites. To address this constraint, a fragment-centric topographic mapping method (AlphaSpace s...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9061187/ https://www.ncbi.nlm.nih.gov/pubmed/35521159 http://dx.doi.org/10.1039/c8ra09789e |