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Molecular docking for screening chemicals of environmental health concern: insight from a case study on bisphenols

Author(s): Norouzi S; Nahmiach N; Perez G; Zhu Y; Peslherbe GH; Muir DCG; Zhang X;

To explore the use of molecular docking as a high throughput in silico screening tool for identifying chemicals of environmental health concern, we conducted a case study to assess endocrine disruption effects due to targeting of nuclear receptors (NRs) by chemicals with backbone structures like bisphenols, but with varied functional groups. The molecular ...

Article GUID: 40970403


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