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Computational Analysis of Residue-Specific Binding Free Energies of Androgen Receptor to Ligands

Androgen receptor (AR) is an important therapeutic target for the treatment of diseases such as prostate cancer, hypogonadism, muscle wasting, etc. In this study, the complex structures of the AR ligand-binding domain (LBD) with fifteen ligands were analyzed by molecular dynamics simulations combine...

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Detalles Bibliográficos
Autores principales:	Shao, Guangfeng, Bao, Jingxiao, Pan, Xiaolin, He, Xiao, Qi, Yifei, Zhang, John Z. H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2021
Materias:	Molecular Biosciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7994597/ https://www.ncbi.nlm.nih.gov/pubmed/33778009 http://dx.doi.org/10.3389/fmolb.2021.646524

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