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Discovery of potential epigenetic inhibitors against histone methyltransferases through molecular docking and molecular dynamics simulations

2020-04-14

Abstract excerpt

Histone methyltransferases (HMTases) catalyze histone methylations that are the important epigenetic marks regulating gene expression, cell fate, and disease progression. In this study, we investigated potential epigenetic inhibitors against HMTases through in silico approaches, including ensembled molecular docking and molecular dynamics simulations (MDS).We identified three candidate compounds, including echinom...

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Literature Corpus work
7e401e16-24c8-5a24-8d75-ec56986cb38e
DOI
10.1101/2020.04.13.040030
Open publication

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Discovery of potential epigenetic inhibitors against histone methyltransferases through molecular docking and molecular dynamics simulationsDOI 10.1101/2020.04.13.040030
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