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Using Big Data Analytics to “Back Engineer” Protein Conformational Selection Mechanisms
In the living cells, proteins bind small molecules (or “ligands”) through a “conformational selection” mechanism, where a subset of protein structures are capable of binding the small molecules well while most other protein structures are not capable of such binding. The present work uses machine le...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9025728/ https://www.ncbi.nlm.nih.gov/pubmed/35458706 http://dx.doi.org/10.3390/molecules27082509 |