全部文献期刊学位论文会议报纸专利标准年鉴图书|学者科研项目
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作者:Nagamani Selvaraman , Saravana Kumar Selvam , Karthikeyan Muthusamy
来源:[J].Chemical Biology & Drug Design(IF 2.469), 2016, Vol.88 (2), pp.272-280Wiley
摘要:Non‐secosteroidal ligands are well‐known vitamin D receptor (VDR) agonists. In this study, we described a combined QM / MM to define the protein–ligand interaction energy a strong positive correlation in both QM – MM interaction energy and binding free energy against th...

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