BioinformaticsJournal of Biomolecular Structure and DynamicsPeer-reviewed
Identification of novel natural product inhibitors of BRD4 using high throughput virtual screening and MD simulation
Soumen Barman, Snehasudha S. Sahoo, Jyotirmayee Padhan, Babu Sudhamalla
This study identifies five natural product inhibitors of BRD4-BD1 through virtual screening and MD simulation, with three showing similar or better binding affinity than JQ1.