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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...

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Detalles Bibliográficos
Autores principales: Gong, Qiankun, Zhang, Haomiao, Zhang, Haozhe, Chen, Changjun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
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