Ligand chirality can affect histidine protonation of vitamin-D receptor: ab initio molecular orbital calculations in water.

The Journal of Steroid Biochemistry and Molecular Biology（2019）

引用 15|浏览16

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摘要

Interacting structures between hVDR residues and ligand 2 depending on the protonation states of His305 and His397

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关键词

Chirality,Protonation of histidine,Molecular simulation,Fragment molecular orbital,Vitamin D receptor,Protein ligand interaction

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