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Calculating the absolute binding free energy of the insulin dimer in an explicit solvent
Insulin is a significant hormone in the regulation of glucose level in the blood. Its monomers bind to each other to form dimers or hexamers through a complex process. To study the binding of the insulin dimer, we first calculate its absolute binding free energy by the steered molecular dynamics met...
Autores principales: | Gong, Qiankun, Zhang, Haomiao, Zhang, Haozhe, Chen, Changjun |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9047981/ https://www.ncbi.nlm.nih.gov/pubmed/35494470 http://dx.doi.org/10.1039/c9ra08284k |
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