Identification of novel JMJD2A inhibitor scaffold using shape and electrostatic similarity search combined with docking method and MM-GBSA approach

Taotao Feng, Weilin Chen, Dongdong Li, Hongzhi Lin, Fang Liu, Qichao Bao, Yonghua Lei, Xiaojin Zhang, Xiaoli Xu, Xiaoke Guo, Qidong You, Haopeng Sun

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Biochemistry, Genetics and Molecular Biology

Pharmacology, Toxicology and Pharmaceutical Science