Mechanistic insights into peptide and ligand binding of the ATAD2-bromodomain via atomistic simulations disclosing a role of induced fit and conformational selection

Mechanistic insights into peptide and ligand binding of the ATAD2-bromodomain via atomistic simulations disclosing a role of induced fit and conformational selection

Y Zhou, M Hussain, G Kuang, J Zhang… - Physical Chemistry …, 2018 - pubs.rsc.org

ATAD2 has emerged as a promising bromodomain (BRD)-containing therapeutic drug target
in multiple human cancers. However, recent druggability assessment studies predicted
ATAD2's BRD as a target 'difficult to drug'because its binding pocket possesses structural …

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