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The role of loop dynamics in the prediction of ligand–protein binding enthalpy
The enthalpic and entropic components of ligand–protein binding free energy reflect the interactions and dynamics between ligand and protein. Despite decades of study, our understanding and hence our ability to predict these individual components remains poor. In recent years, there has been substan...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10284145/ https://www.ncbi.nlm.nih.gov/pubmed/37350814 http://dx.doi.org/10.1039/d2sc06471e |