Discovery of potential epigenetic inhibitors against histone methyltransferases through molecular docking and molecular dynamics simulations
Tirumalasetty Muni Chandra Babu, Zaiping Zhang, Danian Qin, Chengyang Huang
This study identifies three compounds that bind to histone methyltransferases through molecular docking and dynamics simulations, suggesting they could be epigenetic inhibitors.
bioRxiv · Apr 13, 2020 · PreprintMolecular Biology